SCHEMBL3245404

SCHEMBL3245404

COc1cccc(C(CCO)NC(=O)Nc2ccc(-c3cn[nH]c3)cc2OCCN2CCCC2)c1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 19/20 0.64
ROCK1 Q13464 11/20 0.64
CDC42BPA Q5VT25 2/20 0.57

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
SCHEMBL3245797 0.94 ROCK2 (0.61) ROCK2ROCK1CDC42BPA
SCHEMBL3122305 0.91 ROCK2 (0.73) ROCK2ROCK1CDC42BPA
SCHEMBL3116367 0.89 ROCK2 (0.71) ROCK2ROCK1CDC42BPA
SCHEMBL3241451 0.88 ROCK2 (0.69) ROCK2ROCK1CDC42BPA
SCHEMBL3241106 0.87 ROCK2 (0.68) ROCK2ROCK1CDC42BPA
SCHEMBL3245103 0.87 ROCK2 (0.67) ROCK2ROCK1CDC42BPA
SCHEMBL3245838 0.85 ROCK2 (0.69) ROCK2ROCK1CDC42BPA
SCHEMBL3249747 0.83 ROCK2 (0.66) ROCK2ROCK1CDC42BPA
SCHEMBL3246082 0.83 ROCK2 (0.61) ROCK2ROCK1CDC42BPA
SCHEMBL3253118 0.82 ROCK2 (0.64) ROCK2ROCK1CDC42BPA

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