SCHEMBL16308161

SCHEMBL16308161

Cc1cccc2c1nc(C(F)F)n2-c1cc(N2CCOCC2)nc(NCC2CCN(C(=O)OC(C)(C)C)CC2)n1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 14/20 0.50
PIK3CB P42338 6/20 0.50
PIK3CD O00329 5/20 0.50
PIK3R1 P27986 5/20 0.50
TGFBR1 P36897 1/20 0.45
PIK3CG P48736 2/20 0.43
NAPEPLD Q6IQ20 1/20 0.41

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
SCHEMBL16308116 0.89 PIK3CB (0.53) PIK3CAPIK3CBPIK3CDPIK3R1PIK3CG
SCHEMBL16308153 0.89 PIK3CA (0.48) PIK3CAPIK3CBPIK3CDPIK3R1PIK3CG
SCHEMBL16308155 0.86 TGFBR1 (0.42) PIK3CAPIK3CBPIK3CDPIK3R1TGFBR1
SCHEMBL16308133 0.85 PIK3CB (0.49) PIK3CAPIK3CBPIK3CDPIK3R1PIK3CG
SCHEMBL16308158 0.85 PIK3CB (0.51) PIK3CAPIK3CBPIK3CDPIK3R1PIK3CG
SCHEMBL16308156 0.85 PIK3CB (0.51) PIK3CAPIK3CBPIK3CDPIK3R1PIK3CG
SCHEMBL16308097 0.84 TGFBR1 (0.42) PIK3CAPIK3CBPIK3CDPIK3R1TGFBR1
SCHEMBL16308159 0.83 TGFBR1 (0.43) PIK3CAPIK3CBPIK3CDPIK3R1TGFBR1
SCHEMBL16308171 0.83 PIK3CB (0.51) PIK3CAPIK3CBPIK3CDPIK3R1NAPEPLD
SCHEMBL16308176 0.83 PIK3CB (0.51) PIK3CAPIK3CBPIK3CDPIK3R1PIK3CG

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