SCHEMBL17529159

SCHEMBL17529159

CN1CC(C(=O)N2CC(Nc3cc(-n4c(C(F)F)nc5ccccc54)nc(N4CCOCC4)n3)C2)CCC1=O

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 19/20 0.55
PIK3CD O00329 17/20 0.55
PIK3CA P42336 15/20 0.53
PIK3CG P48736 12/20 0.51
PIK3R1 P27986 1/20 0.51

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
SCHEMBL15029723 0.96 PIK3CB (0.54) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL15009074 0.93 PIK3CB (0.54) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL15029516 0.90 PIK3CB (0.55) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL15029508 0.90 PIK3CB (0.65) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL15009836 0.90 PIK3CB (0.54) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL16309786 0.89 PIK3CB (0.52) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL16308552 0.89 PIK3CB (0.62) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL15009459 0.88 PIK3CB (0.60) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL16308522 0.87 PIK3CB (0.50) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL15029509 0.87 PIK3CB (0.62) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1

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-2604601-B1 HETERO RING COMPOUND ASTELLAS PHARMA INC (JP) 2016-02-24 EP disclosed