SCHEMBL3129042

SCHEMBL3129042

Cc1cccc(CNC(=O)Nc2ccc(-c3cn[nH]c3)cc2OC2CCN(C)CC2)c1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 17/20 0.60
ROCK1 Q13464 5/20 0.56
CDC42BPA Q5VT25 3/20 0.56

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
SCHEMBL3241375 0.91 ROCK2 (0.68) ROCK2ROCK1CDC42BPA
SCHEMBL3246271 0.88 ROCK2 (0.57) ROCK2ROCK1CDC42BPA
SCHEMBL3127171 0.87 ROCK2 (0.74) ROCK2ROCK1CDC42BPA
SCHEMBL3247721 0.86 ROCK2 (0.54) ROCK2ROCK1CDC42BPA
SCHEMBL13391129 0.83 ROCK2 (0.67) ROCK2ROCK1CDC42BPA
SCHEMBL3250349 0.81 ROCK2 (0.63) ROCK2ROCK1CDC42BPA
SCHEMBL3241015 0.81 ROCK2 (0.63) ROCK2ROCK1CDC42BPA
SCHEMBL3248059 0.80 ROCK2 (0.57) ROCK2ROCK1CDC42BPA
SCHEMBL3124497 0.80 ROCK2 (0.62) ROCK2ROCK1CDC42BPA
SCHEMBL3241104 0.78 ROCK2 (0.62) 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 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