SCHEMBL3247499

SCHEMBL3247499

Cc1cccc(COC(=O)Nc2ccc(-c3cn[nH]c3)cc2OCCN(C)C)c1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 18/20 0.67
ROCK1 Q13464 2/20 0.56
AKT1 P31749 1/20 0.56
CDC42BPA Q5VT25 5/20 0.55

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
SCHEMBL13391233 0.92 ROCK2 (0.72) ROCK2ROCK1AKT1CDC42BPA
SCHEMBL3237786 0.91 ROCK2 (0.69) ROCK2ROCK1AKT1CDC42BPA
SCHEMBL3248596 0.91 ROCK2 (0.53) ROCK2ROCK1AKT1CDC42BPA
SCHEMBL3255470 0.91 ROCK2 (0.74) ROCK2ROCK1AKT1CDC42BPA
SCHEMBL3238586 0.89 ROCK2 (0.52) ROCK2ROCK1AKT1CDC42BPA
SCHEMBL3252024 0.88 ROCK2 (0.50) ROCK2ROCK1AKT1CDC42BPA
SCHEMBL3248061 0.86 ROCK2 (0.53) ROCK2ROCK1AKT1
SCHEMBL13391267 0.86 ROCK2 (0.67) ROCK2ROCK1AKT1CDC42BPA
SCHEMBL3252660 0.86 ROCK2 (0.49) ROCK2ROCK1AKT1CDC42BPA
SCHEMBL3124049 0.85 ROCK2 (0.60) 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