SCHEMBL3248557

SCHEMBL3248557

O=C(NCc1cccc(Cl)c1)Nc1ccc(-c2cn[nH]c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 17/20 1.00
NAMPT P43490 3/20 0.63

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
SCHEMBL3241041 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
SCHEMBL3243298 0.82 ROCK2 (0.70) ROCK2
SCHEMBL3243302 0.82 ROCK2 (0.75) ROCK2
SCHEMBL15742913 0.82 ROCK2 (0.75) ROCK2
SCHEMBL3246374 0.81 ROCK2 (0.71) 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