SCHEMBL16308516

SCHEMBL16308516

O=C(CCCN1CCCCC1)N1CC[C@H](COc2cc(-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 16/20 0.49
PIK3CA P42336 13/20 0.49
PIK3CG P48736 11/20 0.49
PIK3R1 P27986 1/20 0.47

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
SCHEMBL16308515 0.96 PIK3CB (0.51) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL16308578 0.95 PIK3CB (0.51) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL16308577 0.91 PIK3CB (0.53) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL16308509 0.90 PIK3CB (0.57) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL16308490 0.89 PIK3CB (0.51) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL16308400 0.88 PIK3CB (0.53) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL16308399 0.88 PIK3CB (0.55) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL15029536 0.87 PIK3CB (0.53) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL16308414 0.87 PIK3CB (0.54) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL16308401 0.87 PIK3CB (0.54) 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