SCHEMBL17397173

SCHEMBL17397173

O=c1c(-c2ccccc2)c(CCO)cc2ccc(F)cn12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 9/20 0.41
PIK3CB P42338 3/20 0.41
PIK3CA P42336 6/20 0.40
SLC11A2 P49281 1/20 0.34
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
ALKBH3 Q96Q83 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ELAVL1 Q15717 1/20 0.32
TSHR P16473 1/20 0.32
S1PR1 P21453 1/20 0.32
PIK3CG P48736 1/20 0.31
FFAR1 O14842 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
TYMP P19971 1/20 0.31

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
SCHEMBL17397174 0.87 PIK3CD (0.42) PIK3CDPIK3CBPIK3CASLC11A2PIK3CG
SCHEMBL18988992 0.84 PIK3CD (0.42) PIK3CDPIK3CBPIK3CASLC11A2MAPT
SCHEMBL19006238 0.84 PIK3CD (0.43) PIK3CDPIK3CBPIK3CASLC11A2ALKBH3
SCHEMBL18989286 0.83 PIK3CD (0.40) PIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL17397202 0.79 PIK3CA (0.40) PIK3CDPIK3CBPIK3CA
SCHEMBL17397271 0.78 TAAR1 (0.42) PIK3CDPIK3CBPIK3CA
SCHEMBL17397146 0.77 PIK3CD (0.40) PIK3CDPIK3CBPIK3CASLC11A2PIK3CG
SCHEMBL17397148 0.77 PIK3CD (0.40) PIK3CDPIK3CBPIK3CASLC11A2PIK3CG
SCHEMBL17397122 0.76 TAAR1 (0.37) PIK3CDPIK3CBPIK3CA
SCHEMBL19006295 0.76 PIK3CD (0.41) PIK3CDPIK3CBPIK3CASLC11A2ALKBH3

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