SCHEMBL17529151

SCHEMBL17529151

O=C(COCC1CCCCO1)N1CC(Nc2cc(-n3c(C(F)F)nc4ccccc43)nc(N3CCOCC3)n2)C1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 20/20 0.49
PIK3CD O00329 15/20 0.49
PIK3CA P42336 13/20 0.49
PIK3CG P48736 11/20 0.49
PIK3R1 P27986 2/20 0.48

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
SCHEMBL16308496 0.96 PIK3CB (0.52) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL16308551 0.91 PIK3CB (0.54) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL16308555 0.89 PIK3CB (0.63) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL16308445 0.89 PIK3CB (0.55) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL16309802 0.89 PIK3CB (0.52) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL16308525 0.88 PIK3CB (0.47) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL16308545 0.87 PIK3CB (0.49) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL16308493 0.87 PIK3CB (0.55) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL16308573 0.87 PIK3CB (0.49) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL15029500 0.86 PIK3CB (0.56) 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