SCHEMBL16308159

SCHEMBL16308159

CC(C)(C)OC(=O)N1CCC(CNc2nc(N3CCOCC3)cc(-n3c(C(F)F)nc4ccc(C(F)(F)F)cc43)n2)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.43
PIK3CB P42338 10/20 0.41
BCDIN3D Q7Z5W3 1/20 0.41
NAPEPLD Q6IQ20 1/20 0.40
PIK3CD O00329 6/20 0.40
PIK3CA P42336 4/20 0.40
PIK3R1 P27986 1/20 0.40
RORC P51449 1/20 0.40
RAF1 P04049 1/20 0.40
PIK3CG P48736 3/20 0.39
MCHR1 Q99705 2/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
SYK P43405 1/20 0.38

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
SCHEMBL16308155 0.91 TGFBR1 (0.42) TGFBR1PIK3CBBCDIN3DNAPEPLDPIK3CD
SCHEMBL16308097 0.91 TGFBR1 (0.42) TGFBR1PIK3CBBCDIN3DNAPEPLDPIK3CD
SCHEMBL16308116 0.90 PIK3CB (0.53) PIK3CBPIK3CDPIK3CAPIK3R1PIK3CG
SCHEMBL16308133 0.86 PIK3CB (0.49) PIK3CBPIK3CDPIK3CAPIK3R1PIK3CG
SCHEMBL16308158 0.85 PIK3CB (0.51) PIK3CBPIK3CDPIK3CAPIK3R1PIK3CG
SCHEMBL16308156 0.85 PIK3CB (0.51) PIK3CBPIK3CDPIK3CAPIK3R1PIK3CG
SCHEMBL15029623 0.83 PIK3CB (0.45) PIK3CBNAPEPLDPIK3CDPIK3CAPIK3R1
SCHEMBL16308161 0.83 PIK3CA (0.50) TGFBR1PIK3CBNAPEPLDPIK3CDPIK3CA
SCHEMBL15029628 0.83 PIK3CB (0.46) PIK3CBNAPEPLDPIK3CDPIK3CAPIK3R1
SCHEMBL9949632 0.83 PIK3CB (0.49) PIK3CBPIK3CDPIK3CAPIK3R1PIK3CG

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