TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 264.285 | Formula: C14H12N6
H donors: 2 H acceptors: 3 LogP: 2.28 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: Cc1ccn2c1c(ncn2)Nc1ccc2c(c1)cn[nH]2
InChi: 1S/C14H12N6/c1-9-4-5-20-13(9)14(15-8-17-20)18-11-2-3-12-10(6-11)7-16-19-12/h2-8H,1H3,(H,16,19)(H,15,17,18)
InChiKey: YZSXZMHGIYILFK-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	erb-b2 receptor tyrosine kinase 2	Starlite/ChEMBL	References
Homo sapiens	epidermal growth factor receptor	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	epidermal growth factor receptor	Get druggable targets OG5_128597	All targets in OG5_128597
Echinococcus granulosus	epidermal growth factor receptor	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	Receptor tyrosine-protein kinase erbB-2 precursor, putative	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	Tyrosine-protein kinase transforming protein erbB, putative	Get druggable targets OG5_128597	All targets in OG5_128597
Brugia malayi	Furin-like cysteine rich region family protein	Get druggable targets OG5_128597	All targets in OG5_128597
Echinococcus multilocularis		Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	Receptor tyrosine-protein kinase erbB-4 precursor, putative	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma mansoni	tyrosine kinase	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma mansoni	tyrosine kinase	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	IPR000494,EGF receptor, L domain,domain-containing	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma mansoni	tyrosine kinase	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	Epidermal growth factor receptor precursor, putative	Get druggable targets OG5_128597	All targets in OG5_128597
Echinococcus granulosus	epidermal growth factor receptor	Get druggable targets OG5_128597	All targets in OG5_128597
Echinococcus multilocularis	epidermal growth factor receptor	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	Epidermal growth factor receptor precursor, putative	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	IPR006212,Furin-like repeat;IPR009030,Growth factor, receptor,domain-containing	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma mansoni	tyrosine kinase	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma mansoni	tyrosine kinase	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	hypothetical protein	Get druggable targets OG5_128597	All targets in OG5_128597
Loa Loa (eye worm)	TK/EGFR protein kinase	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma mansoni	tyrosine kinase	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	Epidermal growth factor receptor precursor, putative	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	Epidermal growth factor receptor precursor, putative	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	ko:K05085 receptor tyrosine-protein kinase erbB-4, putative	Get druggable targets OG5_128597	All targets in OG5_128597
Echinococcus granulosus	melanoma receptor tyrosine protein kinase	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	Epidermal growth factor receptor precursor, putative	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	expressed protein	Get druggable targets OG5_128597	All targets in OG5_128597

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	tyrosine kinase	0.0191	0.2564	0.4876
Trypanosoma brucei	unspecified product	0.0036	0.0094	0.0969
Trypanosoma brucei	DNA polymerase kappa, putative	0.0043	0.0202	0.2858
Schistosoma mansoni	lipoxygenase	0.0085	0.0883	0.1656
Trichomonas vaginalis	glutaminase, putative	0.0283	0.4022	0.7113
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0059	0.047	0.0866
Trichomonas vaginalis	set domain proteins, putative	0.0246	0.3422	0.5995
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0068	0.0613	1
Mycobacterium tuberculosis	Probable bifunctional membrane-associated penicillin-binding protein 1A/1B PonA2 (murein polymerase) [includes: penicillin-insen	0.0255	0.357	0.6211
Mycobacterium ulcerans	penicillin-binding lipoprotein	0.0136	0.1679	0.1513
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0038	0.0039
Echinococcus granulosus	insulin receptor	0.0115	0.1353	0.2581
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0068	0.0613	1
Brugia malayi	Protein kinase domain containing protein	0.0115	0.1353	0.2556
Brugia malayi	Furin-like cysteine rich region family protein	0.036	0.5239	1
Onchocerca volvulus		0.0086	0.0894	0.2574
Trypanosoma brucei	DNA polymerase kappa, putative	0.0043	0.0202	0.2858
Mycobacterium tuberculosis	Probable bifunctional penicillin-binding protein 1A/1B PonA1 (murein polymerase) (PBP1): penicillin-insensitive transglycosylase	0.0126	0.153	0.2122
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0068	0.0613	0.1139
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0068	0.0613	0.1139
Echinococcus granulosus	epidermal growth factor receptor	0.0194	0.2596	0.4955
Echinococcus multilocularis	insulin receptor	0.0115	0.1353	0.2556
Mycobacterium leprae	PROBABLE BIFUNCTIONAL PENICILLIN-BINDING PROTEIN 1A/1B PONA1 (MUREIN POLYMERASE) (PBP1): PENICILLIN-INSENSITIVE TRANSGLYCOSYLASE	0.0381	0.5573	1
Echinococcus granulosus	epidermal growth factor receptor	0.036	0.5239	1
Brugia malayi	aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase	0.0086	0.0894	0.1678
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0216	0.2949	0.5614
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0303	0.4333	0.7691
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0303	0.4333	0.7691
Echinococcus multilocularis	transcription factor Dp 1	0.004	0.0155	0.0263
Onchocerca volvulus		0.0246	0.3422	1
Mycobacterium tuberculosis	Possible penicillin-binding lipoprotein	0.0136	0.1679	0.2422
Schistosoma mansoni	tyrosine kinase	0.0194	0.2596	0.4938
Trypanosoma brucei	DNA polymerase IV, putative	0.0043	0.0202	0.2858
Echinococcus multilocularis	epidermal growth factor receptor	0.036	0.5239	1
Giardia lamblia	Fructose-bisphosphate aldolase	0.0303	0.4333	0.5
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0068	0.0613	0.1139
Echinococcus granulosus	L aminoadipate semialdehyde	0.0086	0.0894	0.1707
Schistosoma mansoni	tyrosine kinase	0.0191	0.2564	0.4876
Trichomonas vaginalis	conserved hypothetical protein	0.0381	0.5573	1
Loa Loa (eye worm)	glutaminase	0.0283	0.4022	0.7668
Echinococcus multilocularis	dna polymerase kappa	0.0043	0.0202	0.0353
Treponema pallidum	penicillin-binding protein (pbp-3)	0.0658	0.9962	0.9933
Trypanosoma brucei	DNA polymerase kappa, putative	0.0043	0.0202	0.2858
Schistosoma mansoni	tyrosine kinase	0.0194	0.2596	0.4938
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0068	0.0613	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0043	0.0202	0.2858
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0303	0.4333	0.7691
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0059	0.047	0.0275
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0122	0.1466	0.2774
Treponema pallidum	penicillin-binding protein (pbp-1)	0.066	1	1
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0303	0.4333	1
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0148	0.1875	0.0502
Brugia malayi	glutaminase DH11.1	0.0283	0.4022	0.7668
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.0059	0.047	0.0866
Mycobacterium ulcerans	bifunctional penicillin-binding protein 1A/1B PonA1	0.0381	0.5573	0.5502
Schistosoma mansoni	aminoadipate-semialdehyde dehydrogenase	0.0086	0.0894	0.1678
Brugia malayi	polk-prov protein	0.0032	0.0038	0.0039
Trypanosoma brucei	DNA polymerase kappa, putative	0.0043	0.0202	0.2858
Schistosoma mansoni	tyrosine kinase	0.0115	0.1353	0.2556
Schistosoma mansoni	tyrosine kinase	0.036	0.5239	1
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0148	0.1875	0.1714
Brugia malayi	Pre-SET motif family protein	0.0216	0.2949	0.5614
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0059	0.047	0.0275
Echinococcus multilocularis		0.0111	0.1295	0.2446
Schistosoma mansoni	lipoxygenase	0.0122	0.1466	0.2774
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0031	0.0018	0.5
Schistosoma mansoni	tyrosine kinase	0.0191	0.2564	0.4876
Mycobacterium ulcerans	glutaminase	0.0283	0.4022	0.3914
Echinococcus multilocularis	L aminoadipate semialdehyde	0.0086	0.0894	0.1678
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0068	0.0613	0.1169
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0068	0.0613	1
Schistosoma mansoni	tyrosine kinase	0.0115	0.1353	0.2556
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.0115	0.1353	0.2581
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0303	0.4333	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0303	0.4333	0.7691
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0303	0.4333	0.7691
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0303	0.4333	0.7691
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0059	0.047	0.0866
Mycobacterium leprae	Probable penicillin-binding membrane protein PbpB	0.0236	0.3272	0.409
Trypanosoma brucei	DNA polymerase kappa, putative	0.0043	0.0202	0.2858
Echinococcus multilocularis	epidermal growth factor receptor	0.0194	0.2596	0.4938
Echinococcus granulosus	transcription factor Dp 1	0.004	0.0155	0.0297
Trypanosoma brucei	DNA polymerase IV, putative	0.0043	0.0202	0.2858
Mycobacterium tuberculosis	Probable penicillin-binding protein PbpA	0.0374	0.5461	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0303	0.4333	0.7691
Mycobacterium leprae	Probable penicillin-binding protein PbpA	0.0374	0.5461	0.9714
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0894	0.1678
Trypanosoma brucei	DNA polymerase kappa, putative	0.0043	0.0202	0.2858
Plasmodium vivax	SET domain protein, putative	0.0031	0.0018	0.5
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0055	0.0407	0.0745
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0148	0.1875	0.2814
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0059	0.047	0.0898
Mycobacterium ulcerans	penicillin-binding membrane protein PbpB	0.0658	0.9962	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0043	0.0202	0.2858
Echinococcus granulosus	histone lysine methyltransferase setb	0.0031	0.0018	0.0034
Loa Loa (eye worm)	glutaminase 2	0.0283	0.4022	0.7668
Schistosoma mansoni	glutaminase	0.0283	0.4022	0.7668
Mycobacterium ulcerans	penicillin-binding protein PbpA	0.0374	0.5461	0.5388
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0068	0.0613	0.1139
Mycobacterium ulcerans	bifunctional membrane-associated penicillin-binding protein 1A/1B PonA2	0.0255	0.357	0.3451
Loa Loa (eye worm)	TK/INSR protein kinase	0.0115	0.1353	0.2556
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0122	0.1466	0.2799
Echinococcus granulosus	melanoma receptor tyrosine protein kinase	0.0194	0.2596	0.4955
Wolbachia endosymbiont of Brugia malayi	cell division protein FtsI	0.066	1	0.5
Mycobacterium tuberculosis	Probable penicillin-binding membrane protein PbpB	0.0236	0.3272	0.5612
Trypanosoma brucei	DNA polymerase IV, putative	0.0036	0.0094	0.0969
Mycobacterium leprae	PROBABLE BIFUNCTIONAL MEMBRANE-ASSOCIATED PENICILLIN-BINDING PROTEIN 1A/1B PONA2 (MUREIN POLYMERASE) [INCLUDES: PENICILLIN-INSEN	0.0255	0.357	0.4857
Loa Loa (eye worm)	TK/EGFR protein kinase	0.036	0.5239	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0043	0.0202	0.2858
Echinococcus granulosus	dna polymerase kappa	0.0043	0.0202	0.0386
Treponema pallidum	penicillin-binding protein (pbp-2)	0.0381	0.5573	0.2188
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0303	0.4333	0.7691
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.0115	0.1353	0.2556

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.21 uM	Inhibition of EGFR	ChEMBL.	17270437
IC50 (binding)	= 0.21 uM	Inhibition of EGFR	ChEMBL.	17270437
IC50 (binding)	> 1 uM	Inhibition of human recombinant cytoplasmic HER2 kinase expressed in Sf9 cells	ChEMBL.	17270437
IC50 (binding)	> 1 uM	Inhibition of human recombinant cytoplasmic HER2 kinase expressed in Sf9 cells	ChEMBL.	17270437

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

ChEMBL: CHEMBL247100

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 456963