SCHEMBL3248774

SCHEMBL3248774

O=C(NCc1cccc(F)c1)N(CCCO)c1ccc(-c2cn[nH]c2)cc1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 19/20 0.68
ROCK1 Q13464 2/20 0.49
CDC7 O00311 1/20 0.45
PIM1 P11309 1/20 0.45
CDK2 P24941 1/20 0.45
GSK3B P49841 1/20 0.45
PIM2 Q9P1W9 1/20 0.45
CDC42BPA Q5VT25 1/20 0.44

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
SCHEMBL3238765 0.89 ROCK2 (0.68) ROCK2ROCK1CDC42BPA
SCHEMBL3249964 0.89 ROCK2 (0.71) ROCK2ROCK1CDC42BPA
SCHEMBL3244866 0.87 ROCK2 (0.90) ROCK2ROCK1CDC42BPA
SCHEMBL3252994 0.84 ROCK2 (0.49) ROCK2ROCK1CDC42BPA
SCHEMBL3249420 0.81 ROCK2 (1.00) ROCK2ROCK1CDC42BPA
SCHEMBL3236255 0.80 ROCK2 (0.67) ROCK2ROCK1
SCHEMBL3251679 0.79 ROCK2 (0.84) ROCK2ROCK1CDC42BPA
SCHEMBL3246883 0.78 ROCK2 (0.55) ROCK2ROCK1CDC42BPA
SCHEMBL3240681 0.76 ROCK2 (1.00) ROCK2ROCK1CDC42BPA
SCHEMBL3244974 0.75 ROCK2 (0.65) ROCK2ROCK1

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