SCHEMBL16308519

SCHEMBL16308519

O=C(CC1CCCCO1)N1CC[C@H](CNc2cc(-n3c(C(F)F)nc4ccccc43)nc(N3CCOCC3)n2)C1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 20/20 0.50
PIK3CD O00329 14/20 0.50
PIK3CA P42336 12/20 0.50
PIK3CG P48736 11/20 0.50

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
SCHEMBL16308428 0.98 PIK3CB (0.51) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL16308525 0.92 PIK3CB (0.47) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL16308430 0.90 PIK3CB (0.54) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL16308417 0.90 PIK3CB (0.55) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL16308493 0.89 PIK3CB (0.55) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL16308520 0.88 PIK3CB (0.57) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL16308524 0.88 PIK3CB (0.57) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL16308551 0.88 PIK3CB (0.54) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL16308533 0.87 PIK3CB (0.54) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL15029649 0.87 PIK3CB (0.57) 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 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