SCHEMBL3244191

SCHEMBL3244191

NC(=O)c1cccc(CNC(=O)Nc2ccc(-c3cn[nH]c3)cc2OCCCO)c1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 18/20 0.52
ROCK1 Q13464 3/20 0.51
CDC42BPA Q5VT25 1/20 0.45
MELK Q14680 1/20 0.43

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
SCHEMBL3249772 0.86 ROCK2 (0.47) ROCK2ROCK1CDC42BPAMELK
SCHEMBL13391340 0.86 ROCK2 (0.67) ROCK2ROCK1CDC42BPA
SCHEMBL3249765 0.85 ROCK2 (0.51) ROCK2ROCK1MELK
SCHEMBL3245171 0.82 ROCK2 (0.69) ROCK2ROCK1
SCHEMBL3251847 0.82 ROCK2 (0.55) ROCK2ROCK1CDC42BPAMELK
SCHEMBL3242171 0.79 ROCK2 (0.67) ROCK2ROCK1
SCHEMBL3129499 0.78 ROCK2 (0.45) ROCK2ROCK1CDC42BPAMELK
SCHEMBL3245457 0.78 ROCK2 (0.68) ROCK2ROCK1
SCHEMBL3247919 0.78 ROCK2 (0.67) ROCK2ROCK1
SCHEMBL13391093 0.77 ROCK2 (0.73) 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