SCHEMBL17397271

SCHEMBL17397271

NCCc1cc2ccc(F)cn2c(=O)c1-c1cccc(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.42
PIK3CD O00329 10/20 0.37
PIK3CA P42336 3/20 0.35
PIK3CB P42338 2/20 0.35
TGFBR1 P36897 1/20 0.34
TRPA1 O75762 1/20 0.33
DHODH Q02127 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRE P78334 1/20 0.33
GABRA6 Q16445 1/20 0.33

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
SCHEMBL17397122 0.93 TAAR1 (0.37) TAAR1PIK3CDPIK3CAPIK3CBTGFBR1
SCHEMBL17397174 0.90 PIK3CD (0.42) TAAR1PIK3CDPIK3CAPIK3CB
SCHEMBL17397176 0.89 PIK3CD (0.41) TAAR1PIK3CDPIK3CAPIK3CB
SCHEMBL17397202 0.87 PIK3CA (0.40) TAAR1PIK3CDPIK3CAPIK3CB
SCHEMBL17397287 0.85 PIM1 (0.41)
SCHEMBL17397294 0.83 PIK3CD (0.46) TAAR1PIK3CDPIK3CAPIK3CB
SCHEMBL19006238 0.80 PIK3CD (0.43) PIK3CDPIK3CAPIK3CB
SCHEMBL17397072 0.79 TAAR1 (0.40) TAAR1PIK3CDTGFBR1DHODH
SCHEMBL17397173 0.78 PIK3CD (0.41) PIK3CDPIK3CAPIK3CB
SCHEMBL18989093 0.77 HTR2A (0.33) TAAR1PIK3CDPIK3CAPIK3CB

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