SCHEMBL3240649

SCHEMBL3240649

COc1cccc(C(CO)NC(=O)N(CCCN)c2ccc(-c3cn[nH]c3)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 20/20 0.58
ROCK1 Q13464 5/20 0.54

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
SCHEMBL3250555 0.93 ROCK2 (0.64) ROCK2ROCK1
SCHEMBL3247191 0.93 ROCK2 (0.62) ROCK2ROCK1
SCHEMBL3240815 0.87 ROCK2 (0.67) ROCK2ROCK1
SCHEMBL3251679 0.82 ROCK2 (0.84) ROCK2ROCK1
SCHEMBL3244688 0.79 ROCK2 (0.56) ROCK2ROCK1
SCHEMBL3248728 0.78 ROCK2 (0.53) ROCK2ROCK1
SCHEMBL3244866 0.76 ROCK2 (0.90) ROCK2ROCK1
SCHEMBL3249420 0.73 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL3248719 0.73 ROCK2 (0.65) ROCK2ROCK1
SCHEMBL3236255 0.73 ROCK2 (0.67) ROCK2ROCK1

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
WO-2010036316-A1 UREA AND CARBAMATE COMPOUNDS AND ANALOGS AS KINASE INHIBITORS FENG YANGBO (US) 2010-04-01 WO claimed