SCHEMBL3247491

SCHEMBL3247491

Cc1cccc(CNC(=O)Oc2ccc(-c3cn[nH]c3)cc2OCCN(C)C)c1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 20/20 0.55
ROCK1 Q13464 4/20 0.48
AKT1 P31749 1/20 0.46
CDC42BPA Q5VT25 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
SCHEMBL3252655 0.86 ROCK2 (0.56) ROCK2ROCK1
SCHEMBL3247499 0.81 ROCK2 (0.67) ROCK2ROCK1AKT1CDC42BPA
SCHEMBL3248261 0.80 ROCK2 (0.65) ROCK2ROCK1
SCHEMBL3247373 0.80 ROCK2 (0.58) ROCK2ROCK1
SCHEMBL3249574 0.80 ROCK2 (0.49) ROCK2ROCK1
SCHEMBL3252347 0.77 ROCK2 (0.54) ROCK2ROCK1CDC42BPA
SCHEMBL3249765 0.77 ROCK2 (0.51) ROCK2ROCK1
SCHEMBL13391093 0.76 ROCK2 (0.73) ROCK2ROCK1AKT1CDC42BPA
SCHEMBL3241261 0.75 ROCK2 (0.74) ROCK2ROCK1CDC42BPA
SCHEMBL3238961 0.74 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