SCHEMBL3249772

SCHEMBL3249772

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

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 17/20 0.47
CDC42BPA Q5VT25 1/20 0.47
MELK Q14680 1/20 0.43
ROCK1 Q13464 3/20 0.43
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
AKT1 P31749 1/20 0.41

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
SCHEMBL3238586 0.89 ROCK2 (0.52) ROCK2CDC42BPAMELKROCK1AKT1
SCHEMBL3239731 0.86 ROCK2 (0.60) ROCK2CDC42BPAROCK1
SCHEMBL3244191 0.86 ROCK2 (0.52) ROCK2CDC42BPAMELKROCK1
SCHEMBL3129499 0.85 ROCK2 (0.45) ROCK2CDC42BPAMELKROCK1AKT1
SCHEMBL3248596 0.85 ROCK2 (0.53) ROCK2CDC42BPAROCK1AKT1
SCHEMBL3248264 0.82 ROCK2 (0.62) ROCK2CDC42BPAROCK1
SCHEMBL3249765 0.80 ROCK2 (0.51) ROCK2MELKROCK1
SCHEMBL3252660 0.80 ROCK2 (0.49) ROCK2CDC42BPAROCK1AKT1
SCHEMBL3251847 0.78 ROCK2 (0.55) ROCK2CDC42BPAMELKROCK1
SCHEMBL3253611 0.78 ROCK2 (0.61) 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 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