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SCHEMBL807085

SCHEMBL807085

COc1ncc(-c2ccc3nc(N)c(-c4ccc(N5CCOCC5)cc4)cc3c2)cc1NS(=O)(=O)c1ccc(F)cc1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PIK3CG P48736 12/20 1.00
▸ PI4KA P42356 8/20 1.00
▸ PIK3CA P42336 12/20 0.66
▸ PIK3CD O00329 4/20 0.58
▸ PIK3CB P42338 4/20 0.58
▸ MTOR P42345 6/20 0.57
▸ PIK3R1 P27986 2/20 0.57

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
SCHEMBL10277003 0.94 PIK3CG (0.88) PIK3CGPI4KAPIK3CAPIK3CDPIK3CB
SCHEMBL806759 0.94 PIK3CG (0.88) PIK3CGPI4KAPIK3CAPIK3CDPIK3CB
SCHEMBL807176 0.93 PIK3CG (0.87) PIK3CGPI4KAPIK3CAPIK3CDPIK3CB
SCHEMBL807256 0.93 PIK3CG (0.87) PIK3CGPI4KAPIK3CAPIK3CDPIK3CB
SCHEMBL798396 0.93 PIK3CG (0.86) PIK3CGPI4KAPIK3CAPIK3CDPIK3CB
SCHEMBL807249 0.93 PIK3CG (0.86) PIK3CGPI4KAPIK3CAPIK3CDPIK3CB
SCHEMBL10277636 0.91 PIK3CG (0.84) PIK3CGPI4KAPIK3CAPIK3CDPIK3CB
SCHEMBL790717 0.91 PIK3CG (0.83) PIK3CGPI4KAPIK3CAPIK3CDPIK3CB
SCHEMBL789312 0.91 PIK3CG (0.83) PIK3CGPI4KAPIK3CAPIK3CDPIK3CB
SCHEMBL10277385 0.91 PI4KA (0.83) PIK3CGPI4KAPIK3CAMTOR

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