TDR Targets

Basic information

Technical information

TDR Targets ID: 781390
Name: 4-amino-2-(1,3-benzoxazol-2-ylamino)pyrimidin e-5-carbonitrile
MW: 252.232 | Formula: C12H8N6O
H donors: 2 H acceptors: 4 LogP: 2.18 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: N#Cc1cnc(nc1N)Nc1nc2c(o1)cccc2
InChi: 1S/C12H8N6O/c13-5-7-6-15-11(17-10(7)14)18-12-16-8-3-1-2-4-9(8)19-12/h1-4,6H,(H3,14,15,16,17,18)
InChiKey: SPJRGKIIIDSETF-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

4-amino-2-(1,3-benzoxazol-2-ylamino)-5-pyrimidinecarbonitrile
ZINC02194796
A3897/0165762

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

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	jumonji/arid domain-containing protein	0.0057	0.0089	0.0089
Loa Loa (eye worm)	matrixin family protein	0.0154	0.0528	0.0528
Leishmania major	CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48)	0.0101	0.0288	1
Onchocerca volvulus		0.0098	0.0276	0.0938
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0378	0.1548	1
Echinococcus granulosus	BC026374 protein S09 family	0.0378	0.1548	0.1539
Trypanosoma cruzi	CAAX prenyl protease 2, putative	0.0101	0.0288	1
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0378	0.1548	0.1548
Schistosoma mansoni	alpha-glucosidase	0.0154	0.0531	0.0531
Echinococcus multilocularis	acetylcholinesterase	0.2235	1	1
Schistosoma mansoni	hypothetical protein	0.0172	0.0612	0.0612
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0031	0.0031
Echinococcus granulosus	lysosomal alpha glucosidase	0.0179	0.0645	0.0635
Mycobacterium ulcerans	carboxylesterase, LipT	0.0378	0.1548	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0031	0.0021
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0378	0.1548	0.1539
Echinococcus granulosus	para nitrobenzyl esterase	0.0378	0.1548	0.1539
Echinococcus multilocularis	acetylcholinesterase	0.2235	1	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0031	0.0021
Echinococcus granulosus	carboxylesterase 5A	0.2235	1	1
Loa Loa (eye worm)	hypothetical protein	0.0378	0.1548	0.1548
Brugia malayi	Matrixin family protein	0.0069	0.0144	0.0144
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0079	0.0079
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0055	0.0079	0.0079
Loa Loa (eye worm)	hypothetical protein	0.0378	0.1548	0.1548
Brugia malayi	Carboxylesterase family protein	0.0378	0.1548	0.1548
Loa Loa (eye worm)	hypothetical protein	0.0101	0.0288	0.0288
Brugia malayi	Carboxylesterase family protein	0.0378	0.1548	0.1548
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0378	0.1548	0.1539
Schistosoma mansoni	BC026374 protein (S09 family)	0.0378	0.1548	0.1548
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0057	0.0089	0.0078
Loa Loa (eye worm)	hypothetical protein	0.0378	0.1548	0.1548
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0179	0.0645	0.0635
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0144	0.0144
Echinococcus multilocularis	para nitrobenzyl esterase	0.0378	0.1548	0.1539
Brugia malayi	Carboxylesterase family protein	0.0378	0.1548	0.1548
Echinococcus granulosus	neuroligin	0.0378	0.1548	0.1539
Loa Loa (eye worm)	acetylcholinesterase 1	0.2235	1	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0055	0.0079	0.0079
Schistosoma mansoni	matrix metallopeptidase-7 (M10 family)	0.0069	0.0144	0.0144
Trichomonas vaginalis	set domain proteins, putative	0.0261	0.1015	0.6535
Echinococcus granulosus	acetylcholinesterase	0.2235	1	1
Entamoeba histolytica	CAAX prenyl protease family	0.0101	0.0288	1
Schistosoma mansoni	hypothetical protein	0.0172	0.0612	0.0612
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0378	0.1548	0.1539
Onchocerca volvulus		0.0261	0.1015	0.6204
Loa Loa (eye worm)	matrix metalloproteinase	0.0069	0.0144	0.0144
Onchocerca volvulus		0.0378	0.1548	1
Onchocerca volvulus		0.0378	0.1548	1
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0378	0.1548	1
Loa Loa (eye worm)	carboxylesterase	0.2235	1	1
Trichomonas vaginalis	spcc417.12 protein, putative	0.0378	0.1548	1
Loa Loa (eye worm)	matrixin family protein	0.0167	0.0591	0.0591
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0179	0.0645	0.0645
Loa Loa (eye worm)	hypothetical protein	0.2235	1	1
Schistosoma mansoni	acetylcholinesterase	0.0378	0.1548	0.1548
Brugia malayi	Glycosyl hydrolases family 31 protein	0.004	0.001	0.001
Brugia malayi	hypothetical protein	0.0378	0.1548	0.1548
Trypanosoma brucei	CAAX amino terminal protease, putative	0.0101	0.0288	1
Echinococcus granulosus	lysine specific demethylase 5A	0.0057	0.0089	0.0078
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0179	0.0645	0.0635
Onchocerca volvulus		0.0378	0.1548	1
Brugia malayi	Matrix metalloprotease, N-terminal domain containing protein	0.0084	0.0213	0.0213
Echinococcus granulosus	geminin	0.0172	0.0612	0.0602
Echinococcus multilocularis	geminin	0.0172	0.0612	0.0602
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0378	0.1548	0.1548
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0044	0.0031	0.0031
Brugia malayi	CAAX amino terminal protease family protein	0.0101	0.0288	0.0288
Brugia malayi	Matrixin family protein	0.0069	0.0144	0.0144
Brugia malayi	Pre-SET motif family protein	0.0229	0.0871	0.0871
Echinococcus multilocularis	lysine specific demethylase 5A	0.0057	0.0089	0.0078
Echinococcus granulosus	acetylcholinesterase	0.2235	1	1
Schistosoma mansoni	gliotactin	0.0378	0.1548	0.1548
Loa Loa (eye worm)	hypothetical protein	0.0378	0.1548	0.1548
Brugia malayi	Matrixin family protein	0.0069	0.0144	0.0144
Loa Loa (eye worm)	hypothetical protein	0.0378	0.1548	0.1548
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0144	0.0144
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0225	0.0853	0.4796
Mycobacterium leprae	PROBABLE HYDROLASE	0.0084	0.0213	0.5
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0229	0.0871	0.0871
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0031	0.0031
Onchocerca volvulus		0.0378	0.1548	1
Brugia malayi	Hemopexin family protein	0.0098	0.0276	0.0276
Onchocerca volvulus	Matrilysin homolog	0.0154	0.0528	0.2734
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0378	0.1548	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0031	0.0021
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.2235	1	1
Schistosoma mansoni	matrix metallopeptidase-9 (M10 family)	0.0164	0.0578	0.0578
Schistosoma mansoni	alpha glucosidase	0.004	0.001	0.001
Onchocerca volvulus		0.0378	0.1548	1
Loa Loa (eye worm)	hypothetical protein	0.0378	0.1548	0.1548
Brugia malayi	jmjC domain containing protein	0.0057	0.0089	0.0089
Brugia malayi	Carboxylesterase family protein	0.0378	0.1548	0.1548
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.004	0.001	0.5
Brugia malayi	Matrixin family protein	0.0069	0.0144	0.0144
Onchocerca volvulus	Matrix metalloproteinase homolog	0.0154	0.0528	0.2734
Giardia lamblia	Hypothetical protein	0.0101	0.0288	0.5
Echinococcus granulosus	matrix metallopeptidase 7 M10 family	0.0252	0.0975	0.0965
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0179	0.0645	0.0645
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0031	0.0021
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.004	0.001	0.001
Echinococcus multilocularis	CAAX prenyl protease 2	0.0101	0.0288	0.0278
Echinococcus multilocularis	matrix metallopeptidase 7 (M10 family)	0.0252	0.0975	0.0965
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0144	0.0144
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0057	0.0089	0.0089
Schistosoma mansoni	family U48 unassigned peptidase (U48 family)	0.0101	0.0288	0.0288
Loa Loa (eye worm)	carboxylesterase	0.0378	0.1548	0.1548
Brugia malayi	Matrixin family protein	0.0167	0.0591	0.0591
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0378	0.1548	0.1548
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0031	0.0031
Brugia malayi	jmjC domain containing protein	0.0057	0.0089	0.0089
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0057	0.0089	0.0078
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0378	0.1548	1
Loa Loa (eye worm)	hypothetical protein	0.0378	0.1548	0.1548
Schistosoma mansoni	alpha-glucosidase	0.0154	0.0531	0.0531
Brugia malayi	Carboxylesterase family protein	0.2235	1	1
Loa Loa (eye worm)	hypothetical protein	0.2235	1	1
Loa Loa (eye worm)	jmjC domain-containing protein	0.0057	0.0089	0.0089
Trichomonas vaginalis	Clan U, family U48, CaaX prenyl peptidase 2-like	0.0101	0.0288	0.1806
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0055	0.0079	0.0079
Schistosoma mansoni	jumonji domain containing protein	0.0057	0.0089	0.0089
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0213	0.0213
Echinococcus multilocularis	neuroligin	0.0378	0.1548	0.1539
Trypanosoma cruzi	peptidase with unknown catalytic mechanism (family U48)	0.0101	0.0288	1
Schistosoma mansoni	hypothetical protein	0.0098	0.0276	0.0276
Loa Loa (eye worm)	carboxylesterase	0.0378	0.1548	0.1548
Echinococcus multilocularis	carboxylesterase 5A	0.2235	1	1
Onchocerca volvulus		0.0104	0.0301	0.1116
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0378	0.1548	0.1548
Echinococcus granulosus	CAAX prenyl protease 2	0.0101	0.0288	0.0278
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0044	0.0031	0.0031
Schistosoma mansoni	family U48 unassigned peptidase (U48 family)	0.0101	0.0288	0.0288

Activities

No activities found for this compound.

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 781390