SCHEMBL3249722

SCHEMBL3249722

O=C(NCc1ccccc1)Nc1ccc(-c2cn[nH]c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 19/20 1.00
ROCK1 Q13464 1/20 0.66
NAMPT P43490 1/20 0.64

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
SCHEMBL3245013 0.89 ROCK2 (0.80) ROCK2NAMPT
SCHEMBL3245134 0.88 ROCK2 (0.79) ROCK2NAMPT
SCHEMBL3238762 0.86 ROCK2 (1.00) ROCK2NAMPT
SCHEMBL3248557 0.86 ROCK2 (1.00) ROCK2NAMPT
SCHEMBL3240681 0.86 ROCK2 (1.00) ROCK2ROCK1NAMPT
SCHEMBL3241041 0.86 ROCK2 (1.00) ROCK2NAMPT
SCHEMBL3249547 0.85 ROCK2 (1.00) ROCK2NAMPT
SCHEMBL13373356 0.85 ROCK2 (0.74) ROCK2ROCK1NAMPT
SCHEMBL20867663 0.85 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL13391170 0.84 ROCK2 (0.78) 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 3 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
WO-2010036316-A1 UREA AND CARBAMATE COMPOUNDS AND ANALOGS AS KINASE INHIBITORS FENG YANGBO (US) 2010-04-01 WO disclosed