SCHEMBL6560266

SCHEMBL6560266

Cc1cc(C(C)N)ccc1C(=O)Nc1ccncc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.68
ROCK1 Q13464 4/20 0.68
TYK2 P29597 5/20 0.57
JAK2 O60674 4/20 0.49
JAK1 P23458 2/20 0.48
KDM4E B2RXH2 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP11B2 P19099 1/20 0.45
PRKCI P41743 1/20 0.45
NT5E P21589 1/20 0.45
ATP4A P20648 1/20 0.45
ATP4B P51164 1/20 0.45
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RPS6KA5 O75582 2/20 0.44
PKN2 Q16513 2/20 0.44
LRRK2 Q5S007 2/20 0.44
CHUK O15111 1/20 0.44
PRKD3 O94806 1/20 0.44
CDK1 P06493 1/20 0.44

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
SCHEMBL6557858 0.86 ROCK2 (0.64) ROCK2ROCK1TYK2JAK2JAK1
SCHEMBL1552933 0.85 TYK2 (0.65) ROCK2ROCK1TYK2JAK2JAK1
SCHEMBL1552932 0.85 TYK2 (0.65) ROCK2ROCK1TYK2JAK2JAK1
SCHEMBL6558257 0.85 ROCK2 (0.63) ROCK2ROCK1TYK2JAK2JAK1
SCHEMBL6560180 0.85 ROCK2 (0.63) ROCK2ROCK1TYK2JAK2JAK1
Bromide SCHEMBL6560231 0.83 TYK2 (0.62) ROCK2ROCK1TYK2JAK2JAK1
Bromide SCHEMBL6560233 0.83 TYK2 (0.62) ROCK2ROCK1TYK2JAK2JAK1
SCHEMBL1554113 0.81 ROCK2 (1.00) ROCK2ROCK1TYK2JAK2KDM4E
SCHEMBL1553353 0.81 ROCK2 (1.00) ROCK2ROCK1TYK2JAK2KDM4E
SCHEMBL1553349 0.81 ROCK2 (1.00) ROCK2ROCK1TYK2JAK2KDM4E

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 5 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 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
US-5958944-A TREATMENT OF CIRCULATORY DISEASES IN CORONARY, CEREBRAL, RENAL AND PERIPHERAL ARTERIES, AS A THERAPEUTIC AGENT FOR HYPERTENSION, ANGINA PECTORIS, AND RENAL AND PERIPHERAL CIRCULATION DISORDER, ANTIASTHMATIC AGENT YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1999-09-28 US disclosed
EP-0757038-A1 BENZAMIDE COMPOUND AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-02-05 EP disclosed