SCHEMBL6559977

SCHEMBL6559977

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

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.74
CIT O14578 4/20 0.74
ROCK1 Q13464 3/20 0.74
PRKD3 O94806 2/20 0.74
PRKACA P17612 2/20 0.74
PRKCQ Q04759 2/20 0.74
PRKCD Q05655 2/20 0.74
PKN2 Q16513 2/20 0.74
PRKD2 Q9BZL6 2/20 0.74
MAP4K4 O95819 1/20 0.74
PRKCB P05771 1/20 0.74
PRKCA P17252 1/20 0.74
CSNK2A2 P19784 1/20 0.74
MARK3 P27448 1/20 0.74
BMPR1A P36894 1/20 0.74
CSNK1A1 P48729 1/20 0.74
CLK1 P49759 1/20 0.74
GSK3A P49840 1/20 0.74
GSK3B P49841 1/20 0.74
CDK9 P50750 1/20 0.74

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
SCHEMBL6560053 1.00 ROCK2 (0.74) ROCK2CITROCK1PRKD3PRKACA
Y-39983 SCHEMBL29893202 0.85 CIT (1.00) ROCK2CITROCK1PRKD3PRKACA
Y-39983 SCHEMBL29431274 0.85 CIT (1.00) ROCK2CITROCK1PRKD3PRKACA
Y-39983 SCHEMBL226557 0.85 CIT (1.00) ROCK2CITROCK1PRKD3PRKACA
Y-39983 SCHEMBL25685649 0.85 CIT (1.00) ROCK2CITROCK1PRKD3PRKACA
Y-39983 SCHEMBL226556 0.85 CIT (1.00) ROCK2CITROCK1PRKD3PRKACA
SCHEMBL2471061 0.85 CIT (0.62) ROCK2CITROCK1PRKD3PRKACA
Y-39983 SCHEMBL29816387 0.84 ROCK2 (1.00) ROCK2CITROCK1PRKD3PRKACA
Y-39983 SCHEMBL599800 0.84 ROCK2 (1.00) ROCK2CITROCK1PRKD3PRKACA
Y-39983 SCHEMBL599801 0.84 ROCK2 (1.00) ROCK2CITROCK1PRKD3PRKACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1391454-B1 Substituted benzamide compounds with antihypertensive activity MITSUBISHI TANABE PHARMA CORP (JP) 2012-05-30 EP claimed
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-B1 Substituted benzamide compounds with antihypertensive activity MITSUBISHI TANABE PHARMA CORP (JP) 2012-05-30 EP disclosed
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