SCHEMBL17397192

SCHEMBL17397192

Nc1nc(NCCc2cc3ccc(F)cn3c(=O)c2-c2cccc(OC(F)(F)F)c2)c2nc[nH]c2n1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 12/20 0.37
PIK3CB P42338 2/20 0.36
PIK3CA P42336 3/20 0.36
XDH P47989 1/20 0.35
SYK P43405 1/20 0.35
NAMPT P43490 1/20 0.33
PIK3CG P48736 1/20 0.33
EIF2AK2 P19525 1/20 0.32
RIPK3 Q9Y572 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL17397134 0.90 PIK3CD (0.41) PIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL17397071 0.88 PIK3CD (0.46) PIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL17397306 0.86 PIK3CA (0.44) PIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL17397169 0.86 PIK3CD (0.44) PIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL17397215 0.85 PIK3CD (0.40) PIK3CDPIK3CBPIK3CASYKPIK3CG
SCHEMBL17401064 0.83 PIK3CD (0.55) PIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL17397190 0.83 PIK3CD (0.55) PIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL17397123 0.80 PIK3CD (0.45) PIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL17397290 0.78 PIK3CD (0.53) PIK3CDPIK3CBPIK3CA
SCHEMBL17397287 0.77 PIM1 (0.41) XDHRIPK3MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

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