SCHEMBL16308552

SCHEMBL16308552

CN1CC(C(=O)N2CC(Nc3nc(N4CCOCC4)nc(-n4c(C(F)F)nc5ccccc54)n3)C2)CCC1=O

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 19/20 0.62
PIK3CD O00329 17/20 0.62
PIK3CA P42336 15/20 0.60
PIK3CG P48736 12/20 0.58
PIK3R1 P27986 1/20 0.58

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
SCHEMBL16308553 0.93 PIK3CB (0.62) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL17529159 0.89 PIK3CB (0.55) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL16308550 0.87 PIK3CB (0.69) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL15029723 0.84 PIK3CB (0.54) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL16309785 0.83 PIK3CB (0.65) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL16308543 0.81 PIK3CB (0.53) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL15009074 0.81 PIK3CB (0.54) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL16308558 0.81 PIK3CB (0.68) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL16308554 0.81 PIK3CB (0.75) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL15029422 0.81 PIK3CB (0.80) 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 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