SCHEMBL16308532

SCHEMBL16308532

O=C(CN1CCCCC1)N1CC[C@H](CNc2cc(-n3c(C(F)F)nc4ccccc43)nc(N3CCOCC3)n2)C1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 20/20 0.52
PIK3CD O00329 15/20 0.51
PIK3CA P42336 13/20 0.51
PIK3CG P48736 12/20 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
SCHEMBL16308533 0.96 PIK3CB (0.54) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL16308530 0.93 PIK3CB (0.51) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL16308531 0.92 PIK3CB (0.49) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL16308417 0.91 PIK3CB (0.55) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL16308524 0.90 PIK3CB (0.57) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL16308535 0.89 PIK3CB (0.53) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL16308430 0.89 PIK3CB (0.54) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL15029649 0.89 PIK3CB (0.57) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL15009073 0.89 PIK3CB (0.57) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL16308536 0.88 PIK3CB (0.51) PIK3CBPIK3CDPIK3CAPIK3CG

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