SCHEMBL17397169

SCHEMBL17397169

Nc1nc(NCCc2cc3ccc(F)cn3c(=O)c2-c2cc(F)cc(F)c2)c2nc[nH]c2n1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 16/20 0.44
PIK3CA P42336 3/20 0.38
PIK3CB P42338 2/20 0.38
PIK3CG P48736 1/20 0.34
NUDT1 P36639 1/20 0.33
PRKACA P17612 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
SCHEMBL17397306 0.94 PIK3CA (0.44) PIK3CDPIK3CAPIK3CBPIK3CGNUDT1
SCHEMBL17397134 0.93 PIK3CD (0.41) PIK3CDPIK3CAPIK3CBPIK3CGNUDT1
SCHEMBL17397071 0.92 PIK3CD (0.46) PIK3CDPIK3CAPIK3CBPIK3CGNUDT1
SCHEMBL17397252 0.89 PIK3CD (0.44) PIK3CDPIK3CAPIK3CB
SCHEMBL17397215 0.88 PIK3CD (0.40) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL17397192 0.86 PIK3CD (0.37) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL17397164 0.83 PIK3CD (0.43) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL17397231 0.82 PIK3CD (0.47) PIK3CDPIK3CAPIK3CB
SCHEMBL17397290 0.81 PIK3CD (0.53) PIK3CDPIK3CAPIK3CB
SCHEMBL17397396 0.80 PIK3CD (0.66) 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 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