SCHEMBL16504261

SCHEMBL16504261

CC(C)(C=N)OC(=O)N[C@H]1CC[C@H](CNc2nc(N3CCOC[C@H]3CO)cc(-n3c(C(F)F)nc4ccccc43)n2)CC1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 18/20 0.44
PIK3CD O00329 11/20 0.43
PIK3CA P42336 9/20 0.41
PIK3CG P48736 9/20 0.41
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41

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
SCHEMBL10125256 0.93 PIK3CB (0.44) PIK3CBPIK3CDPIK3CAPIK3CGPDCD1
SCHEMBL10125354 0.93 PIK3CB (0.44) PIK3CBPIK3CDPIK3CAPIK3CGPDCD1
SCHEMBL10125263 0.88 PIK3CB (0.44) PIK3CBPIK3CDPIK3CAPIK3CGPDCD1
SCHEMBL10125385 0.88 PIK3CB (0.44) PIK3CBPIK3CDPIK3CAPIK3CGPDCD1
SCHEMBL10125260 0.88 PIK3CB (0.44) PIK3CBPIK3CDPIK3CAPIK3CGPDCD1
SCHEMBL10125140 0.85 PDCD1 (0.49) PIK3CBPIK3CDPIK3CAPIK3CGPDCD1
SCHEMBL10125144 0.85 PDCD1 (0.49) PIK3CBPIK3CDPIK3CAPIK3CGPDCD1
SCHEMBL16308131 0.84 PIK3CB (0.46) PIK3CBPIK3CDPIK3CAPIK3CGPDCD1
SCHEMBL10124320 0.83 PIK3CB (0.51) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL10125268 0.82 PIK3CB (0.48) PIK3CBPIK3CDPIK3CAPIK3CGPDCD1

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
EP-2397479-A1 HETERO RING DERIVATIVE Astellas Pharma Inc. (JP) 2011-12-21 EP disclosed