SCHEMBL16308115

SCHEMBL16308115

CSc1nc(OCC2CN(C(=O)OC(C)(C)C)C2)cc(-n2c(C(F)F)nc3ccccc32)n1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP7 P09237 2/20 0.37
MMP12 P39900 2/20 0.37
MMP3 P08254 1/20 0.37
MMP10 P09238 1/20 0.37
MMP8 P22894 1/20 0.37
PIK3CB P42338 11/20 0.37
PIK3CD O00329 8/20 0.37
PIK3CA P42336 7/20 0.37
PIK3CG P48736 5/20 0.37
PIK3R1 P27986 1/20 0.37
OPRM1 P35372 2/20 0.36
OPRK1 P41145 2/20 0.36
OGFRL1 Q5TC84 2/20 0.36
OPRD1 P41143 1/20 0.36
PDE10A Q9Y233 2/20 0.35
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35

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
SCHEMBL16308114 0.88 PIK3CB (0.38) MMP7MMP12MMP3MMP10MMP8
SCHEMBL15029883 0.87 P2RY12 (0.37) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL16308096 0.87 GPR119 (0.39) MMP7MMP12MMP3MMP10PIK3CB
SCHEMBL16308253 0.85 PIK3CB (0.54) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL15009071 0.85 PIK3CB (0.41) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL10124148 0.85 PIK3CB (0.41) PIK3CBPIK3CDPIK3CAPIK3CGOPRM1
SCHEMBL15009709 0.84 PIK3CB (0.40) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL16308085 0.84 ALOX5AP (0.42) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL16308048 0.82 CHEK2 (0.41) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL16308251 0.81 PIK3CB (0.52) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1

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
US-8912180-B2 Heterocyclic compound ASTELLAS PHARMA INC. (JP) 2014-12-16 US disclosed