SCHEMBL3249547

SCHEMBL3249547

COc1ccc(CNC(=O)Nc2ccc(-c3cn[nH]c3)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 15/20 1.00
NAMPT P43490 3/20 0.67
SMN1; SMN2 Q16637 1/20 0.64
NPC1 O15118 1/20 0.62
RAB9A P51151 1/20 0.62

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
SCHEMBL3245134 0.88 ROCK2 (0.79) ROCK2NAMPTSMN1; SMN2NPC1
SCHEMBL3249295 0.87 ROCK2 (0.78) ROCK2NAMPT
SCHEMBL13391170 0.87 ROCK2 (0.78) ROCK2
SCHEMBL3249431 0.87 ROCK2 (1.00) ROCK2NAMPT
SCHEMBL3249722 0.85 ROCK2 (1.00) ROCK2NAMPT
SCHEMBL3245013 0.85 ROCK2 (0.80) ROCK2NAMPT
SCHEMBL17916794 0.83 SMN1; SMN2 (0.88) ROCK2NAMPTSMN1; SMN2NPC1RAB9A
SCHEMBL4511047 0.83 ROCK2 (0.74) ROCK2NAMPTSMN1; SMN2NPC1RAB9A
SCHEMBL3251290 0.81 ROCK2 (0.74) ROCK2
SCHEMBL26100778 0.81 ROCK2 (0.67) ROCK2NAMPTSMN1; SMN2NPC1RAB9A

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