SCHEMBL3248607

SCHEMBL3248607

Cc1cccc(COC(=O)N(OCCO)c2ccc(-c3cn[nH]c3)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 17/20 0.49
ROCK1 Q13464 5/20 0.40
CYP2C9 P11712 2/20 0.40
CDC42BPA Q5VT25 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
KDR P35968 1/20 0.39
TEK Q02763 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP12 P39900 1/20 0.39
MYLK4 Q86YV6 1/20 0.38

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
SCHEMBL3238595 0.94 ROCK2 (0.48) ROCK2ROCK1CYP2C9CDC42BPACYP3A4
SCHEMBL3252034 0.87 ROCK2 (0.48) ROCK2ROCK1CYP2C9CDC42BPACYP3A4
SCHEMBL3251649 0.85 ROCK2 (0.44) ROCK2ROCK1KDRTEK
SCHEMBL3247220 0.84 ROCK2 (0.47) ROCK2ROCK1KDR
SCHEMBL3239746 0.83 ROCK2 (0.56) ROCK2ROCK1CYP2C9CDC42BPACYP3A4
SCHEMBL3244390 0.83 ROCK2 (0.50) ROCK2ROCK1CYP2C9CDC42BPACYP3A4
SCHEMBL3253617 0.81 ROCK2 (0.57) ROCK2ROCK1CYP2C9CDC42BPACYP3A4
SCHEMBL3249902 0.80 ROCK2 (0.47) ROCK2ROCK1CYP2C9CDC42BPAKDR
SCHEMBL3255476 0.80 ROCK2 (0.59) ROCK2ROCK1CYP2C9CDC42BPACYP3A4
SCHEMBL3246278 0.79 ROCK2 (0.44) ROCK2ROCK1CDC42BPAKDRTEK

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 1 patent. 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