SCHEMBL17397306

SCHEMBL17397306

Nc1nc(NCCc2cc3ccc(F)cn3c(=O)c2-c2ccc(F)cc2)c2nc[nH]c2n1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.44
PIK3CD O00329 16/20 0.40
PIK3CB P42338 4/20 0.40
PIK3CG P48736 2/20 0.34
NUDT1 P36639 1/20 0.33
CYP3A4 P08684 1/20 0.33
BRD4 O60885 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
SCHEMBL17397071 0.95 PIK3CD (0.46) PIK3CAPIK3CDPIK3CBPIK3CGNUDT1
SCHEMBL17397169 0.94 PIK3CD (0.44) PIK3CAPIK3CDPIK3CBPIK3CGNUDT1
SCHEMBL17397134 0.92 PIK3CD (0.41) PIK3CAPIK3CDPIK3CBPIK3CGNUDT1
SCHEMBL17397231 0.89 PIK3CD (0.47) PIK3CAPIK3CDPIK3CBBRD4
SCHEMBL17397215 0.87 PIK3CD (0.40) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL17397192 0.86 PIK3CD (0.37) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL17397290 0.83 PIK3CD (0.53) PIK3CAPIK3CDPIK3CB
SCHEMBL17397252 0.82 PIK3CD (0.44) PIK3CAPIK3CDPIK3CB
SCHEMBL17397259 0.80 PIK3CA (0.65) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL17401187 0.79 PIK3CA (0.67) PIK3CAPIK3CDPIK3CBPIK3CG

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