SCHEMBL16308523

SCHEMBL16308523

CN1CC(C(=O)N2CC[C@H](CNc3cc(-n4c(C(F)F)nc5ccccc54)nc(N4CCOCC4)n3)C2)CC1=O

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 19/20 0.51
PIK3CD O00329 15/20 0.51
PIK3CA P42336 13/20 0.49
PIK3CG P48736 10/20 0.48
PIK3R1 P27986 1/20 0.46

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
SCHEMBL16308426 0.95 PIK3CB (0.50) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL16308522 0.94 PIK3CB (0.50) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL16308468 0.91 PIK3CB (0.51) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL16308425 0.91 PIK3CB (0.58) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL16308427 0.89 PIK3CB (0.57) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL16308521 0.89 PIK3CB (0.54) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL15009836 0.89 PIK3CB (0.54) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL15029914 0.88 PIK3CB (0.56) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL16308429 0.88 PIK3CB (0.54) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL16308540 0.88 PIK3CB (0.57) PIK3CBPIK3CDPIK3CAPIK3CG

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
US-8912180-B2 Heterocyclic compound ASTELLAS PHARMA INC. (JP) 2014-12-16 US disclosed
US-8912180-B2 Heterocyclic compound ASTELLAS PHARMA INC. (JP) 2014-12-16 US disclosed