SCHEMBL6557697

SCHEMBL6557697

CC(N)c1ccc(C(=O)Nc2ccnc3[nH]ncc23)cc1C#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.46
GSK3B P49841 3/20 0.46
CIT O14578 2/20 0.46
ROCK1 Q13464 2/20 0.46
PRKD3 O94806 1/20 0.46
MAP4K4 O95819 1/20 0.46
PRKCB P05771 1/20 0.46
PRKCA P17252 1/20 0.46
PRKACA P17612 1/20 0.46
CSNK2A2 P19784 1/20 0.46
MARK3 P27448 1/20 0.46
BMPR1A P36894 1/20 0.46
CSNK1A1 P48729 1/20 0.46
CLK1 P49759 1/20 0.46
GSK3A P49840 1/20 0.46
CDK9 P50750 1/20 0.46
PRKCQ Q04759 1/20 0.46
PRKCD Q05655 1/20 0.46
PKN1 Q16512 1/20 0.46
PKN2 Q16513 1/20 0.46

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
SCHEMBL6557694 1.00 ROCK2 (0.46) ROCK2GSK3BCITROCK1PRKD3
SCHEMBL6560055 0.87 ROCK2 (0.50) ROCK2GSK3BCITROCK1PRKD3
SCHEMBL4520177 0.86 GSK3B (0.43) ROCK2GSK3BCITROCK1PRKD3
SCHEMBL6559960 0.86 GSK3B (0.49) ROCK2GSK3BCITROCK1PRKD3
SCHEMBL4508120 0.85 ROCK2 (0.42) ROCK2GSK3BCITROCK1PRKD3
SCHEMBL4503445 0.85 ROCK2 (0.46) ROCK2GSK3BCITROCK1PRKD3
SCHEMBL4516921 0.85 GSK3B (0.49) ROCK2GSK3BCITROCK1PRKD3
SCHEMBL6557958 0.85 CIT (0.66) ROCK2GSK3BCITROCK1PRKD3
SCHEMBL6557736 0.85 ROCK2 (0.48) ROCK2GSK3BCITROCK1PRKD3
SCHEMBL6559075 0.85 ROCK2 (0.48) ROCK2GSK3BCITROCK1PRKD3

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1391454-A1 Substituted benzamide compounds with antihypertensive activity Mitsubishi Pharma Corporation (JP) 2004-02-25 EP claimed
EP-1195372-A1 N-heterocyclic substituted benzamide derivatives with antihypertensive activity Mitsubishi Pharma Corporation (JP) 2002-04-10 EP claimed
EP-0757038-A1 BENZAMIDE COMPOUND AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-02-05 EP claimed
EP-1391454-A1 Substituted benzamide compounds with antihypertensive activity Mitsubishi Pharma Corporation (JP) 2004-02-25 EP disclosed
EP-1195372-A1 N-heterocyclic substituted benzamide derivatives with antihypertensive activity Mitsubishi Pharma Corporation (JP) 2002-04-10 EP disclosed
US-6156766-A Benzamide compounds and pharmaceutical use thereof YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2000-12-05 US disclosed
EP-0757038-A1 BENZAMIDE COMPOUND AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-02-05 EP disclosed