SCHEMBL17397136

SCHEMBL17397136

Cc1cccc2cc(CCN)c(-c3ccc(F)c(F)c3)c(=O)n12

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.37
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
NEK1 Q96PY6 4/20 0.32
PIK3CB P42338 2/20 0.32
TP53 P04637 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
KCNA5 P22460 1/20 0.31
KCNH2 Q12809 1/20 0.31
PIK3CA P42336 1/20 0.31
TAAR1 Q96RJ0 2/20 0.31
GRM2 Q14416 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
DPP4 P27487 1/20 0.30
PTPN11 Q06124 1/20 0.30

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
SCHEMBL17397111 0.87 PIK3CD (0.35) PIK3CDPIK3CBPIK3CATAAR1
SCHEMBL17397079 0.85 PIK3CD (0.42) PIK3CDPIK3CBTP53PIK3CATAAR1
SCHEMBL17397135 0.79 PIK3CD (0.42) PIK3CDNPC1RAB9ANEK1PIK3CB
SCHEMBL17397072 0.78 TAAR1 (0.40) PIK3CDTAAR1GRIN2BDPP4
SCHEMBL17397312 0.76 PIK3CD (0.53) PIK3CDPIK3CBPIK3CA
SCHEMBL17397082 0.70 PIK3CD (0.42) PIK3CDPIK3CBTP53CD274PIK3CA
SCHEMBL17397113 0.65 PIK3CD (0.45) PIK3CDPIK3CBPIK3CA
SCHEMBL17397271 0.65 TAAR1 (0.42) PIK3CDPIK3CBPIK3CATAAR1
SCHEMBL17397110 0.63 PIK3CD (0.43) PIK3CDPIK3CBPIK3CA
SCHEMBL17397202 0.63 PIK3CA (0.40) PIK3CDPIK3CBPIK3CATAAR1DPP4

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 2 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 disclosed
WO-2016001855-A1 QUINOLIZINONE DERIVATIVES AS PI3K INHIBITORS LUPIN LIMITED (IN) 2016-01-07 WO disclosed