SCHEMBL19006183

SCHEMBL19006183

C[C@H](Nc1nc(N)nc(N)c1C#N)c1c(-c2ccccc2)c(=O)n2cc(F)ccc2c1C1CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 19/20 1.00
PIK3CA P42336 9/20 1.00
PIK3CB P42338 3/20 0.80
PIK3CG P48736 2/20 0.80

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
SCHEMBL19006316 0.94 PIK3CD (0.89) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL19006191 0.93 PIK3CD (0.87) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL19006285 0.90 PIK3CD (1.00) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL19006195 0.90 PIK3CD (0.83) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL19006288 0.89 PIK3CD (1.00) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL19006304 0.88 PIK3CD (0.79) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL19006292 0.88 PIK3CD (1.00) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL19006244 0.87 PIK3CD (0.77) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL19006194 0.87 PIK3CD (0.77) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL19006294 0.87 PIK3CD (0.92) 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