SCHEMBL3247209

SCHEMBL3247209

Cc1cccc(COC(=O)Nc2ccc(-c3cn[nH]c3)cc2OCCN2CCOCC2)c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 15/20 0.52
ROCK1 Q13464 3/20 0.52
CDC42BPA Q5VT25 1/20 0.49
KDR P35968 2/20 0.47
KIT P10721 1/20 0.44
FLT3 P36888 1/20 0.44
EGFR P00533 1/20 0.44
AKT1 P31749 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL3124049 0.93 ROCK2 (0.60) ROCK2ROCK1CDC42BPAKDRKIT
SCHEMBL13390977 0.92 ROCK2 (0.57) ROCK2ROCK1CDC42BPAKDRFLT3
SCHEMBL3246515 0.92 ROCK2 (0.57) ROCK2ROCK1CDC42BPAKDR
SCHEMBL3248059 0.88 ROCK2 (0.57) ROCK2ROCK1CDC42BPAKDRKIT
SCHEMBL3249575 0.88 ROCK2 (0.43) ROCK2ROCK1
SCHEMBL3248596 0.86 ROCK2 (0.53) ROCK2ROCK1CDC42BPAAKT1
SCHEMBL3243986 0.84 ROCK2 (0.66) ROCK2ROCK1CDC42BPAKDRFLT3
SCHEMBL3240774 0.84 ROCK2 (0.62) ROCK2ROCK1CDC42BPA
SCHEMBL3238586 0.84 ROCK2 (0.52) ROCK2ROCK1CDC42BPAAKT1
SCHEMBL3244463 0.83 ROCK2 (0.42) ROCK2ROCK1CDC42BPAAKT1

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