SCHEMBL17397176

SCHEMBL17397176

NCCc1cc2ccc(F)cn2c(=O)c1-c1cc(F)cc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 9/20 0.41
PIK3CA P42336 3/20 0.34
PIK3CB P42338 2/20 0.33
HTR2A P28223 2/20 0.31
MPO P05164 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
HTR6 P50406 1/20 0.31
HTR1A P08908 1/20 0.31
KMT2A Q03164 1/20 0.31
MAOB P27338 1/20 0.30
TAAR1 Q96RJ0 2/20 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
SCHEMBL17397294 0.92 PIK3CD (0.46) PIK3CDPIK3CAPIK3CBTAAR1
SCHEMBL17397202 0.91 PIK3CA (0.40) PIK3CDPIK3CAPIK3CBHTR2AMPO
SCHEMBL17397271 0.89 TAAR1 (0.42) PIK3CDPIK3CAPIK3CBTAAR1
SCHEMBL17397174 0.88 PIK3CD (0.42) PIK3CDPIK3CAPIK3CBHTR6TAAR1
SCHEMBL17397122 0.82 TAAR1 (0.37) PIK3CDPIK3CAPIK3CBMPOHTR1A
SCHEMBL18989093 0.80 HTR2A (0.33) PIK3CDPIK3CAPIK3CBHTR2AMPO
SCHEMBL17397287 0.79 PIM1 (0.41)
SCHEMBL17397173 0.75 PIK3CD (0.41) PIK3CDPIK3CAPIK3CB
SCHEMBL17397252 0.74 PIK3CD (0.44) PIK3CDPIK3CAPIK3CB
SCHEMBL17397175 0.74 PIK3CD (0.55) PIK3CDPIK3CAPIK3CB

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