SCHEMBL3119232

SCHEMBL3119232

Nc1nccc(-c2ccc(NC(=O)N(Cc3cccc(F)c3)C3CC3)cc2)n1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.49
NTRK1 P04629 1/20 0.49
DCUN1D1 Q96GG9 10/20 0.44
UBE2M P61081 9/20 0.44
ROCK1 Q13464 1/20 0.41
OPRM1 P35372 2/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL3116461 0.89 ROCK2 (0.47) ROCK2NTRK1DCUN1D1UBE2M
SCHEMBL3249296 0.79 ROCK2 (0.77) ROCK2NTRK1ROCK1
SCHEMBL3116464 0.78 HSP90AA1 (0.42) ROCK2NTRK1
SCHEMBL4525156 0.76 ROCK2 (0.63) ROCK2ROCK1MEN1KMT2A
SCHEMBL24174774 0.74 ROCK2 (0.61) ROCK2ROCK1MEN1KMT2A
SCHEMBL31396420 0.74 ROCK2 (0.61) ROCK2ROCK1MEN1KMT2A
SCHEMBL27744384 0.72 ROCK2 (0.48) ROCK2ROCK1
SCHEMBL4525158 0.72 ROCK2 (0.48) ROCK2ROCK1
SCHEMBL9265728 0.72 AGER (0.56) ROCK2NTRK1DCUN1D1UBE2M
SCHEMBL3816834 0.72 ROCK1 (0.56) 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 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