SCHEMBL16308524

SCHEMBL16308524

O=C(CCC(=O)N1CC[C@H](CNc2cc(-n3c(C(F)F)nc4ccccc43)nc(N3CCOCC3)n2)C1)N1CCOCC1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 20/20 0.57
PIK3CD O00329 14/20 0.57
PIK3CA P42336 11/20 0.57
PIK3CG P48736 10/20 0.57
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
SCHEMBL16308535 0.94 PIK3CB (0.53) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL16308417 0.93 PIK3CB (0.55) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL16308422 0.93 PIK3CB (0.53) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL16308536 0.92 PIK3CB (0.51) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL16308419 0.92 PIK3CB (0.52) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL16308430 0.92 PIK3CB (0.54) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL16308533 0.92 PIK3CB (0.54) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL15029649 0.92 PIK3CB (0.57) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL16308530 0.92 PIK3CB (0.51) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL16308539 0.91 PIK3CB (0.52) 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 3 patents. 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
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