SCHEMBL10193060

SCHEMBL10193060

Cc1cc(C(N)=O)c(OCc2ccccc2)cc1-c1cnn(C)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.50
SYK P43405 1/20 0.48
GRM2 Q14416 1/20 0.47
CFD P00746 1/20 0.47
NEK2 P51955 3/20 0.46
AURKA O14965 1/20 0.46
MERTK Q12866 8/20 0.45
PRMT5 O14744 1/20 0.43
FGFR1 P11362 1/20 0.43
FGFR3 P22607 1/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
JAK3 P52333 1/20 0.43
AXL P30530 6/20 0.43
MET P08581 1/20 0.43
TYRO3 Q06418 1/20 0.43
MCL1 Q07820 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
SCHEMBL168549 0.82 LRRK2 (0.61) LRRK2
SCHEMBL176152 0.82 LRRK2 (0.76) LRRK2METMCL1
SCHEMBL168867 0.78 LRRK2 (0.76) LRRK2METMCL1
SCHEMBL166527 0.78 LRRK2 (0.61) LRRK2
SCHEMBL168617 0.76 LRRK2 (0.49) LRRK2CFDNEK2AURKAMERTK
SCHEMBL24731500 0.74 PRMT5 (0.52) LRRK2CFDMERTKPRMT5FGFR1
SCHEMBL20290925 0.73 LRRK2 (0.62) LRRK2NEK2AURKAMERTKAXL
SCHEMBL168477 0.73 LRRK2 (0.47) LRRK2CFDNEK2AURKAMERTK
SCHEMBL169086 0.73 LRRK2 (0.47) LRRK2MERTKFGFR1FGFR3
SCHEMBL22837774 0.73 LRRK2 (0.61) LRRK2NEK2AURKAMERTKAXL

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-2012028629-A1 2 - (BENZYLOXY) BENZAMIDES AS LRRK2 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2012-03-08 WO disclosed