SCHEMBL17529033

SCHEMBL17529033

O=C(O)N1CCC[C@H](CNc2nc(N3CCOCC3)cc(-n3c(C(F)F)nc4ccccc43)n2)C1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 20/20 0.55
PIK3CD O00329 12/20 0.52
PIK3CA P42336 11/20 0.52
PIK3CG P48736 11/20 0.52

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
SCHEMBL17529071 0.95 PIK3CB (0.57) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL17529045 0.95 PIK3CB (0.57) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL15029964 0.93 PIK3CB (0.60) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL16308210 0.90 PIK3CB (0.58) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL16308101 0.89 PIK3CB (0.50) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL16308120 0.89 PIK3CB (0.50) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL16308233 0.88 PIK3CB (0.54) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL16308148 0.87 PIK3CB (0.55) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL17529053 0.87 PIK3CB (0.48) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL15030006 0.87 PIK3CB (0.54) 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 1 patent. 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