SCHEMBL3247938

SCHEMBL3247938

O=C(Nc1ccc(-c2cn[nH]c2)cc1)N(Cc1ccccc1)C1CC1

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 16/20 0.75
ROCK1 Q13464 7/20 0.66
CYP2C9 P11712 3/20 0.53
CDC42BPA Q5VT25 3/20 0.53
UBE2M P61081 1/20 0.52
DCUN1D1 Q96GG9 1/20 0.52
MYLK4 Q86YV6 3/20 0.51
CYP3A4 P08684 2/20 0.50
CYP2D6 P10635 2/20 0.50

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
SCHEMBL3249296 0.88 ROCK2 (0.77) ROCK2ROCK1CYP2C9CDC42BPACYP3A4
SCHEMBL3249432 0.86 ROCK2 (1.00) ROCK2ROCK1CYP2C9CDC42BPACYP3A4
SCHEMBL3240977 0.82 ROCK2 (0.75) ROCK2ROCK1CYP2C9CDC42BPAMYLK4
SCHEMBL19661755 0.81 ROCK2 (0.69) ROCK2ROCK1CYP2C9CDC42BPAMYLK4
SCHEMBL3241830 0.80 ROCK2 (0.78) ROCK2ROCK1CYP2C9CDC42BPACYP3A4
SCHEMBL3246640 0.79 ROCK2 (1.00) ROCK2ROCK1CYP2C9CDC42BPACYP3A4
SCHEMBL21768697 0.79 ROCK2 (0.67) ROCK2ROCK1CYP2C9CDC42BPAMYLK4
SCHEMBL3124743 0.79 ROCK2 (0.76) ROCK2ROCK1CYP2C9CDC42BPAMYLK4
SCHEMBL3247657 0.77 ROCK2 (0.80) ROCK2ROCK1CYP2C9CDC42BPACYP3A4
SCHEMBL21768572 0.77 ROCK2 (0.61) ROCK2ROCK1CYP2C9CDC42BPAMYLK4

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