SCHEMBL3247191

SCHEMBL3247191

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

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 20/20 0.62
ROCK1 Q13464 7/20 0.58
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CDC42BPA Q5VT25 1/20 0.51

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
SCHEMBL3240815 0.94 ROCK2 (0.67) ROCK2ROCK1CYP3A4CYP2D6CYP2C9
SCHEMBL3240649 0.93 ROCK2 (0.58) ROCK2ROCK1
SCHEMBL3250555 0.88 ROCK2 (0.64) ROCK2ROCK1CYP3A4CYP2D6CYP2C9
SCHEMBL3244866 0.82 ROCK2 (0.90) ROCK2ROCK1CYP3A4CYP2D6CYP2C9
SCHEMBL3248728 0.81 ROCK2 (0.53) ROCK2ROCK1CYP3A4CYP2D6CYP2C9
SCHEMBL3246740 0.79 ROCK2 (0.59) ROCK2ROCK1CYP3A4CYP2D6CYP2C9
SCHEMBL3244090 0.78 ROCK2 (0.65) ROCK2ROCK1CYP3A4CYP2D6CYP2C9
SCHEMBL3242073 0.78 ROCK2 (0.65) ROCK2ROCK1CYP3A4CYP2D6CYP2C9
SCHEMBL3242929 0.77 ROCK2 (0.64) ROCK2ROCK1CYP3A4CYP2D6CYP2C9
SCHEMBL3249420 0.76 ROCK2 (1.00) ROCK2ROCK1CYP3A4CYP2D6CYP2C9

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