SCHEMBL16308142

SCHEMBL16308142

CC(C)(C)OC(=O)N[C@H]1CCC[C@H](Nc2cc(-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 0.49
PIK3CA P42336 12/20 0.49
PIK3CG P48736 11/20 0.49
PIK3R1 P27986 1/20 0.49

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
SCHEMBL16308181 1.00 PIK3CB (0.54) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL10124304 0.93 PIK3CB (0.59) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL16308199 0.88 PIK3CB (0.51) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL10124302 0.86 PIK3CB (0.55) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL16308055 0.86 PIK3CB (0.40) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL16308050 0.86 PIK3CB (0.40) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL4779006 0.86 PIK3CB (0.66) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL16308088 0.86 PIK3CB (0.54) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL16308151 0.86 PIK3CD (0.68) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL16308140 0.86 PIK3CD (0.68) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8912180-B2 Heterocyclic compound ASTELLAS PHARMA INC. (JP) 2014-12-16 US disclosed