SCHEMBL19006301

SCHEMBL19006301

C[C@H](Nc1nc(N)ncc1C#N)c1c(-c2cccc(F)c2)c(=O)n2cc(F)ccc2c1C1CC1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 20/20 0.68
PIK3CA P42336 8/20 0.68
PIK3CB P42338 3/20 0.53
PIK3CG P48736 2/20 0.53

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
SCHEMBL19006194 0.94 PIK3CD (0.77) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL19006316 0.87 PIK3CD (0.89) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL18988603 0.87 PIK3CD (0.71) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL19006244 0.87 PIK3CD (0.77) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL19006243 0.85 PIK3CD (0.78) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL18988551 0.82 PIK3CD (0.48) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL19006245 0.82 PIK3CD (0.75) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL17397216 0.82 PIK3CD (0.88) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL17401134 0.82 PIK3CD (0.88) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL17401190 0.82 PIK3CD (0.88) PIK3CDPIK3CAPIK3CBPIK3CG

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