SCHEMBL3244688

SCHEMBL3244688

COc1cccc(OCC(=O)N(CCCN)c2ccc(-c3cn[nH]c3)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 19/20 0.56
FGFR1 P11362 1/20 0.48
FGFR2 P21802 1/20 0.48
FGFR4 P22455 1/20 0.48
FGFR3 P22607 1/20 0.48
KDR P35968 1/20 0.48
ROCK1 Q13464 5/20 0.46
CYP2C9 P11712 3/20 0.46
CDC42BPA Q5VT25 3/20 0.46
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45

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
SCHEMBL3246740 0.91 ROCK2 (0.59) ROCK2FGFR1FGFR2FGFR4FGFR3
SCHEMBL3251679 0.81 ROCK2 (0.84) ROCK2ROCK1CYP2C9CDC42BPACYP3A4
SCHEMBL3240649 0.79 ROCK2 (0.58) ROCK2ROCK1
SCHEMBL3250555 0.77 ROCK2 (0.64) ROCK2ROCK1CYP2C9CDC42BPACYP3A4
SCHEMBL3124817 0.74 ROCK2 (0.64) ROCK2ROCK1CYP2C9CDC42BPACYP3A4
SCHEMBL3241492 0.73 ROCK2 (0.55) ROCK2ROCK1CDC42BPA
SCHEMBL3248728 0.73 ROCK2 (0.53) ROCK2ROCK1CYP2C9CDC42BPACYP3A4
SCHEMBL3242073 0.73 ROCK2 (0.65) ROCK2ROCK1CYP2C9CDC42BPACYP3A4
SCHEMBL3244090 0.73 ROCK2 (0.65) ROCK2ROCK1CYP2C9CDC42BPACYP3A4
SCHEMBL3242929 0.72 ROCK2 (0.64) ROCK2ROCK1CYP2C9CDC42BPACYP3A4

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