SCHEMBL17397290

SCHEMBL17397290

O=c1c(-c2ccccc2)c(CCNc2ncnc3[nH]cnc23)cc2ccc(F)cn12

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 14/20 0.53
PIK3CB P42338 3/20 0.53
PIK3CA P42336 3/20 0.38
HTT P42858 2/20 0.35
MAPK1 P28482 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.34
CHEK1 O14757 1/20 0.34
CDK1 P06493 1/20 0.34
PDPK1 O15530 1/20 0.33
AURKA O14965 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
SCHEMBL17397286 0.95 PIK3CD (0.50) PIK3CDPIK3CBPIK3CALMNAPOLB
SCHEMBL17397231 0.95 PIK3CD (0.47) PIK3CDPIK3CBPIK3CALMNAPOLB
SCHEMBL17397252 0.92 PIK3CD (0.44) PIK3CDPIK3CBPIK3CA
SCHEMBL17397279 0.90 PIK3CD (0.44) PIK3CDPIK3CBPIK3CAHTTMAPK1
SCHEMBL17397071 0.89 PIK3CD (0.46) PIK3CDPIK3CBPIK3CA
SCHEMBL17397180 0.88 PIK3CD (0.43) PIK3CDPIK3CB
SCHEMBL17397303 0.87 PIK3CD (0.51) PIK3CDPIK3CBPIK3CAHTTMAPK1
SCHEMBL17397245 0.86 PIK3CD (0.49) PIK3CDPIK3CBPIK3CAHTTLMNA
SCHEMBL17397197 0.84 PIK3CD (0.44) PIK3CDPIK3CBAURKA
SCHEMBL17397167 0.84 PIK3CD (0.46) PIK3CDPIK3CBPIK3CAHTTMAPK1

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