SCHEMBL3247404

SCHEMBL3247404

COc1cccc(COC(=O)Nc2ccc(-c3cn[nH]c3)cc2OC2CCN(C)C2)c1

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 15/20 0.74
ROCK1 Q13464 7/20 0.74
CDC42BPA Q5VT25 4/20 0.74
PRKACA P17612 1/20 0.45
PRKACG P22612 1/20 0.45
PRKACB P22694 1/20 0.45

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
SCHEMBL13391161 0.90 ROCK2 (0.62) ROCK2ROCK1CDC42BPA
SCHEMBL3248676 0.88 ROCK2 (0.58) ROCK2ROCK1CDC42BPAPRKACAPRKACG
SCHEMBL3127171 0.88 ROCK2 (0.74) ROCK2ROCK1CDC42BPAPRKACAPRKACG
SCHEMBL3252386 0.88 ROCK2 (0.57) ROCK2ROCK1CDC42BPA
SCHEMBL3244488 0.88 ROCK2 (0.57) ROCK2ROCK1CDC42BPAPRKACAPRKACG
SCHEMBL3246271 0.87 ROCK2 (0.57) ROCK2ROCK1CDC42BPA
SCHEMBL3241016 0.86 ROCK2 (0.56) ROCK2ROCK1CDC42BPA
SCHEMBL13391297 0.85 ROCK2 (1.00) ROCK2ROCK1CDC42BPA
SCHEMBL3245987 0.84 ROCK2 (0.87) ROCK2ROCK1CDC42BPA
SCHEMBL3241375 0.84 ROCK2 (0.68) ROCK2ROCK1CDC42BPAPRKACAPRKACG

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