SCHEMBL798076

SCHEMBL798076

CCOc1ncc(B2OC(C)(C)C(C)(C)O2)cc1NS(=O)(=O)c1ccc(F)cc1F

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.47
PIK3CA P42336 15/20 0.45
PIK3R1 P27986 5/20 0.45
PIK3CG P48736 3/20 0.44
PIK3CD O00329 2/20 0.44
PIK3CB P42338 2/20 0.44
TP53 P04637 1/20 0.44
MTOR P42345 8/20 0.44
BRD4 O60885 1/20 0.42
KDM4E B2RXH2 1/20 0.42
PI4KA P42356 1/20 0.42

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
SCHEMBL22447713 0.90 PIK3CA (0.47) ALPLPIK3CAPIK3R1PIK3CGPIK3CD
SCHEMBL110313 0.90 ALPL (0.55) ALPLPIK3CAPIK3R1PIK3CGPIK3CD
SCHEMBL29556110 0.90 ALPL (0.55) ALPLPIK3CAPIK3R1PIK3CGPIK3CD
SCHEMBL29434933 0.90 ALPL (0.55) ALPLPIK3CAPIK3R1PIK3CGPIK3CD
SCHEMBL9953341 0.89 ALPL (0.51) ALPLPIK3CAPIK3R1PIK3CGPIK3CD
SCHEMBL790655 0.85 PIK3C3 (0.53) PIK3CAMTOR
SCHEMBL31029634 0.84 BRD4 (0.47) ALPLPIK3CDPIK3CBBRD4KDM4E
SCHEMBL12276481 0.84 PIK3CD (0.57) ALPLPIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL29556116 0.84 PIK3CD (0.57) ALPLPIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL789981 0.82 ALPL (0.48) ALPLPIK3CAPIK3R1PIK3CGPIK3CD

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
WO-2012037108-A1 AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed