SCHEMBL18988560

SCHEMBL18988560

NCCc1c(-c2ccc(F)cc2)c(=O)n2cc(F)ccc2c1C1CC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 6/20 0.44
PIK3CA P42336 3/20 0.40
PTGS1 P23219 2/20 0.34
PTGS2 P35354 2/20 0.34
DPP4 P27487 1/20 0.33
MAOB P27338 1/20 0.33
PIK3CB P42338 2/20 0.33
PIK3CG P48736 2/20 0.33
KDM5B Q9UGL1 1/20 0.31
PRKAA2 P54646 1/20 0.31

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
SCHEMBL18988624 0.93 PIK3CD (0.47) PIK3CDPIK3CADPP4PIK3CBPIK3CG
SCHEMBL19006156 0.91 PIK3CD (0.45) PIK3CDPIK3CAPTGS1PTGS2DPP4
SCHEMBL18988459 0.89 PIK3CD (0.40) PIK3CDPIK3CA
SCHEMBL19006161 0.84 PIK3CD (0.48) PIK3CDPIK3CADPP4PIK3CBPIK3CG
SCHEMBL18989298 0.80 PIK3CD (0.43) PIK3CDPIK3CADPP4MAOBPIK3CB
SCHEMBL19006273 0.80 PIK3CD (0.41) PIK3CDPIK3CADPP4
SCHEMBL19006155 0.77 PIK3CD (0.52) PIK3CDPIK3CAPTGS1PTGS2DPP4
SCHEMBL18988617 0.76 PIK3CD (0.65) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL18988519 0.74 PIK3CD (0.58) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL19006249 0.73 PIK3CD (0.67) PIK3CDPIK3CAPIK3CBPIK3CG

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-2017103825-A1 QUINOLIZINONE DERIVATIVES AS PI3K INHIBITORS LUPIN LIMITED (IN) 2017-06-22 WO disclosed