SCHEMBL16308155

SCHEMBL16308155

Cc1ccc2nc(C(F)F)n(-c3cc(N4CCOCC4)nc(NCC4CCN(C(=O)OC(C)(C)C)CC4)n3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.42
PIK3CB P42338 10/20 0.42
BCDIN3D Q7Z5W3 1/20 0.42
PIK3CA P42336 7/20 0.41
PIK3CD O00329 6/20 0.41
PIK3R1 P27986 1/20 0.41
PIK3CG P48736 4/20 0.40
RAF1 P04049 1/20 0.39
SYK P43405 1/20 0.39
NAPEPLD Q6IQ20 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
MAPT P10636 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
BRD4 O60885 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
SCHEMBL16308097 0.92 TGFBR1 (0.42) TGFBR1PIK3CBBCDIN3DPIK3CAPIK3CD
SCHEMBL16308159 0.91 TGFBR1 (0.43) TGFBR1PIK3CBBCDIN3DPIK3CAPIK3CD
SCHEMBL16308116 0.91 PIK3CB (0.53) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL16308183 0.91 PDCD1 (0.40) TGFBR1PIK3CBBCDIN3DPIK3CAPIK3CD
SCHEMBL15029933 0.89 PIK3CB (0.45) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL16308169 0.88 PIK3CB (0.41) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL16308133 0.87 PIK3CB (0.49) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL16308158 0.87 PIK3CB (0.51) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL16308156 0.87 PIK3CB (0.51) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL16308161 0.86 PIK3CA (0.50) TGFBR1PIK3CBPIK3CAPIK3CDPIK3R1

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