SCHEMBL18988992

SCHEMBL18988992

O=C(O)NCCc1cc2ccc(F)cn2c(=O)c1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 6/20 0.42
PIK3CA P42336 2/20 0.42
PIK3CB P42338 2/20 0.42
TP53 P04637 4/20 0.36
MAPT P10636 3/20 0.36
RXFP1 Q9HBX9 3/20 0.36
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HTT P42858 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
THRB P10828 1/20 0.33
SLC11A2 P49281 1/20 0.33
HIF1A Q16665 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
SCHEMBL17397173 0.84 PIK3CD (0.41) PIK3CDPIK3CAPIK3CBMAPTALDH1A1
SCHEMBL17397174 0.82 PIK3CD (0.42) PIK3CDPIK3CAPIK3CBSLC11A2
SCHEMBL18989286 0.80 PIK3CD (0.40) PIK3CDPIK3CAPIK3CBTP53
SCHEMBL19006238 0.79 PIK3CD (0.43) PIK3CDPIK3CAPIK3CBSLC11A2
SCHEMBL17397146 0.79 PIK3CD (0.40) PIK3CDPIK3CAPIK3CBSLC11A2
SCHEMBL17397148 0.79 PIK3CD (0.40) PIK3CDPIK3CAPIK3CBSLC11A2
SCHEMBL19006144 0.77 PIK3CD (0.39) PIK3CDPIK3CAPIK3CB
SCHEMBL18989239 0.76 PIK3CD (0.44) PIK3CDPIK3CAPIK3CBTP53MAPT
SCHEMBL18989139 0.76 PIK3CD (0.40) PIK3CDPIK3CAPIK3CBTP53MAPT
SCHEMBL17397153 0.75 PIK3CD (0.68) PIK3CDPIK3CAPIK3CBALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017103825-A1 QUINOLIZINONE DERIVATIVES AS PI3K INHIBITORS LUPIN LIMITED (IN) 2017-06-22 WO disclosed