SCHEMBL3265658

SCHEMBL3265658

COc1cccc(CN(C(=O)O)c2ccc(-c3cn[nH]c3)cc2N2CCN(C)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 18/20 0.52
ROCK1 Q13464 14/20 0.52
CDC42BPA Q5VT25 2/20 0.51
CYP2C9 P11712 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
SCHEMBL13391296 0.78 ROCK2 (0.52) ROCK2ROCK1CDC42BPACYP2C9
SCHEMBL3246086 0.78 ROCK2 (0.65) ROCK2ROCK1CDC42BPA
SCHEMBL3127085 0.71 ROCK2 (0.91) ROCK2ROCK1CDC42BPACYP2C9
SCHEMBL1648748 0.71 ROCK2 (0.83) ROCK2ROCK1
SCHEMBL3247361 0.71 ROCK2 (0.72) ROCK2ROCK1CDC42BPACYP2C9
SCHEMBL3247694 0.70 ROCK2 (0.72) ROCK2ROCK1CDC42BPACYP2C9
SCHEMBL3122197 0.70 ROCK2 (0.91) ROCK2ROCK1CDC42BPACYP2C9
SCHEMBL3248836 0.70 ROCK2 (0.76) ROCK2ROCK1CDC42BPACYP2C9
SCHEMBL3242192 0.69 ROCK2 (0.73) ROCK2ROCK1CDC42BPACYP2C9
SCHEMBL15995780 0.69 ROCK2 (0.63) ROCK2ROCK1CDC42BPACYP2C9

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 disclosed