SCHEMBL8082489

SCHEMBL8082489

NC(c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1)c1ncccn1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.73
ROCK1 Q13464 3/20 0.73
CIT O14578 3/20 0.73
PRKD3 O94806 2/20 0.73
PRKACA P17612 2/20 0.73
PRKCQ Q04759 2/20 0.73
PRKCD Q05655 2/20 0.73
PKN2 Q16513 2/20 0.73
PRKD2 Q9BZL6 2/20 0.73
MAP4K4 O95819 1/20 0.73
PRKCB P05771 1/20 0.73
PRKCA P17252 1/20 0.73
CSNK2A2 P19784 1/20 0.73
MARK3 P27448 1/20 0.73
BMPR1A P36894 1/20 0.73
CSNK1A1 P48729 1/20 0.73
CLK1 P49759 1/20 0.73
GSK3A P49840 1/20 0.73
GSK3B P49841 1/20 0.73
CDK9 P50750 1/20 0.73

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8069931 0.85 CIT (0.72) ROCK2ROCK1CITPRKD3PRKACA
Y-39983 SCHEMBL226557 0.85 CIT (1.00) ROCK2ROCK1CITPRKD3PRKACA
Y-39983 SCHEMBL226556 0.85 CIT (1.00) ROCK2ROCK1CITPRKD3PRKACA
Y-39983 SCHEMBL25685649 0.85 CIT (1.00) ROCK2ROCK1CITPRKD3PRKACA
Y-39983 SCHEMBL29431274 0.85 CIT (1.00) ROCK2ROCK1CITPRKD3PRKACA
Y-39983 SCHEMBL29893202 0.85 CIT (1.00) ROCK2ROCK1CITPRKD3PRKACA
Y-39983 SCHEMBL29816387 0.84 ROCK2 (1.00) ROCK2ROCK1CITPRKD3PRKACA
Y-39983 SCHEMBL599800 0.84 ROCK2 (1.00) ROCK2ROCK1CITPRKD3PRKACA
Y-39983 SCHEMBL599801 0.84 ROCK2 (1.00) ROCK2ROCK1CITPRKD3PRKACA
Y-39983 SCHEMBL29666940 0.84 ROCK2 (1.00) ROCK2ROCK1CITPRKD3PRKACA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6156766-A Benzamide compounds and pharmaceutical use thereof YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2000-12-05 US disclosed