SCHEMBL3247220

SCHEMBL3247220

Cc1cccc(COC(=O)N(OCCN2CCOCC2)c2ccc(-c3cn[nH]c3)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 14/20 0.47
ROCK1 Q13464 5/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
KDR P35968 3/20 0.40
CHEK1 O14757 1/20 0.38
KIT P10721 1/20 0.38
FLT3 P36888 1/20 0.38
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37
PRKAB2 O43741 1/20 0.37
LCK P06239 1/20 0.37
SRC P12931 1/20 0.37
FLT1 P17948 1/20 0.37
EPHA2 P29317 1/20 0.37
PRKAG1 P54619 1/20 0.37
PRKAA2 P54646 1/20 0.37
PRKAA1 Q13131 1/20 0.37
RPS6KA1 Q15418 1/20 0.37

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
SCHEMBL3246520 0.91 ROCK2 (0.59) ROCK2ROCK1
SCHEMBL3248607 0.84 ROCK2 (0.49) ROCK2ROCK1KDR
SCHEMBL3238595 0.83 ROCK2 (0.48) ROCK2ROCK1KDR
SCHEMBL3244470 0.83 ROCK2 (0.42) ROCK2ROCK1KDR
SCHEMBL3250849 0.82 ROCK2 (0.43) ROCK2ROCK1
SCHEMBL3251649 0.81 ROCK2 (0.44) ROCK2ROCK1KDR
SCHEMBL3252034 0.80 ROCK2 (0.48) ROCK2ROCK1KDR
SCHEMBL3246278 0.79 ROCK2 (0.44) ROCK2ROCK1KDR
SCHEMBL3247209 0.78 ROCK2 (0.52) ROCK2ROCK1L3MBTL1KDRKIT
SCHEMBL3254666 0.76 ROCK2 (0.51) ROCK2ROCK1CHEK1

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