SCHEMBL3245748

SCHEMBL3245748

COc1cccc(OCC(=O)Nc2ccc(-c3cn[nH]c3)cc2OCCN(C)C)c1

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 19/20 0.70
CDC42BPA Q5VT25 5/20 0.60
ROCK1 Q13464 4/20 0.60
AKT1 P31749 1/20 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
SCHEMBL3249259 0.91 ROCK2 (0.58) ROCK2CDC42BPAROCK1
SCHEMBL3247042 0.89 ROCK2 (0.56) ROCK2CDC42BPAROCK1
SCHEMBL3247286 0.89 ROCK2 (0.59) ROCK2CDC42BPAROCK1
SCHEMBL3241492 0.89 ROCK2 (0.55) ROCK2CDC42BPAROCK1
SCHEMBL3129506 0.85 ROCK2 (0.64) ROCK2CDC42BPAROCK1
SCHEMBL3241457 0.84 ROCK2 (0.85) ROCK2CDC42BPAROCK1
SCHEMBL3255470 0.84 ROCK2 (0.74) ROCK2CDC42BPAROCK1AKT1
SCHEMBL3241261 0.84 ROCK2 (0.74) ROCK2CDC42BPAROCK1
SCHEMBL3249358 0.83 ROCK2 (0.56) ROCK2CDC42BPAROCK1
SCHEMBL3116484 0.82 ROCK2 (1.00) ROCK2CDC42BPAROCK1

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