SCHEMBL3241041

SCHEMBL3241041

Nc1cccc(CNC(=O)Nc2ccc(-c3cn[nH]c3)cc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 19/20 1.00
NAMPT P43490 1/20 0.56

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
SCHEMBL3248557 0.87 ROCK2 (1.00) ROCK2NAMPT
SCHEMBL3240681 0.87 ROCK2 (1.00) ROCK2NAMPT
SCHEMBL3238762 0.87 ROCK2 (1.00) ROCK2NAMPT
SCHEMBL3249722 0.86 ROCK2 (1.00) ROCK2NAMPT
SCHEMBL3249431 0.85 ROCK2 (1.00) ROCK2NAMPT
SCHEMBL3241411 0.83 ROCK2 (0.71) ROCK2NAMPT
SCHEMBL3246374 0.81 ROCK2 (0.71) ROCK2
SCHEMBL13391207 0.81 ROCK2 (0.68) ROCK2NAMPT
SCHEMBL3651783 0.80 NAMPT (0.72) ROCK2NAMPT
SCHEMBL3247307 0.80 ROCK2 (0.76) ROCK2

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