SCHEMBL17397146

SCHEMBL17397146

CC(C)(C)[S@+]([O-])NCCc1cc2ccc(F)cn2c(=O)c1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 9/20 0.40
PIK3CB P42338 4/20 0.40
PIK3CA P42336 6/20 0.38
PIK3CG P48736 2/20 0.31
SLC11A2 P49281 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
SCHEMBL17397148 1.00 PIK3CD (0.40) PIK3CDPIK3CBPIK3CAPIK3CGSLC11A2
SCHEMBL18989207 0.84 PIK3CD (0.30) PIK3CDPIK3CB
SCHEMBL18988992 0.79 PIK3CD (0.42) PIK3CDPIK3CBPIK3CASLC11A2
SCHEMBL17397091 0.77 PIK3CD (0.37) PIK3CDPIK3CBPIK3CASLC11A2
SCHEMBL17397174 0.77 PIK3CD (0.42) PIK3CDPIK3CBPIK3CAPIK3CGSLC11A2
SCHEMBL17397173 0.77 PIK3CD (0.41) PIK3CDPIK3CBPIK3CAPIK3CGSLC11A2
SCHEMBL17397246 0.77 PIK3CD (0.53) PIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL17397243 0.77 PIK3CD (0.53) PIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL18989021 0.77 PIK3CD (0.53) PIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL17397145 0.77 PIK3CD (0.53) PIK3CDPIK3CBPIK3CAPIK3CG

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 3 patents. 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
EP-3164400-A1 QUINOLIZINONE DERIVATIVES AS PI3K INHIBITORS Lupin Limited (IN) 2017-05-10 EP disclosed
WO-2016001855-A1 QUINOLIZINONE DERIVATIVES AS PI3K INHIBITORS LUPIN LIMITED (IN) 2016-01-07 WO disclosed