SCHEMBL16308537

SCHEMBL16308537

O=C(C1CCN(c2ccncc2)CC1)N1CC[C@H](CNc2cc(-n3c(C(F)F)nc4ccccc43)nc(N3CCOCC3)n2)C1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 19/20 0.54
PIK3CD O00329 14/20 0.54
PIK3CA P42336 12/20 0.53
PIK3CG P48736 11/20 0.53
F10 P00742 1/20 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
SCHEMBL16308425 0.94 PIK3CB (0.58) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL16308427 0.92 PIK3CB (0.57) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL15029914 0.91 PIK3CB (0.56) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL16308429 0.90 PIK3CB (0.54) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL16308540 0.90 PIK3CB (0.57) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL16308521 0.90 PIK3CB (0.54) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL16308528 0.90 PIK3CB (0.54) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL16308467 0.89 PIK3CB (0.60) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL15029471 0.88 PIK3CB (0.53) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL16308424 0.88 PIK3CB (0.52) 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