SCHEMBL798666

SCHEMBL798666

COc1ncc(-c2ccc3c(c2)cc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(N)[n+]3[O-])cc1NS(=O)(=O)c1ccc(F)cc1F

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 14/20 0.51
MTOR P42345 10/20 0.51
PIK3CG P48736 8/20 0.49
PI4KA P42356 6/20 0.49
PIK3CD O00329 2/20 0.48
PIK3CB P42338 2/20 0.48
PIK3R1 P27986 2/20 0.46

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
SCHEMBL790017 0.86 PIK3CG (0.63) PIK3CAMTORPIK3CGPI4KAPIK3CD
SCHEMBL806799 0.85 PIK3CA (0.62) PIK3CAMTORPIK3CGPI4KAPIK3CD
SCHEMBL30333043 0.79 PIK3CA (0.68) PIK3CAMTORPIK3CGPI4KAPIK3CD
SCHEMBL10274850 0.78 PIK3CG (0.68) PIK3CAMTORPIK3CGPI4KAPIK3CD
SCHEMBL25389572 0.78 PIK3CA (0.58) PIK3CAMTORPIK3CGPI4KAPIK3CD
SCHEMBL25389354 0.78 PIK3CA (0.59) PIK3CAMTORPIK3CGPI4KAPIK3CD
SCHEMBL31185588 0.78 PIK3CA (0.58) PIK3CAMTORPIK3CGPI4KAPIK3CD
SCHEMBL789777 0.78 PIK3CG (0.66) PIK3CAMTORPIK3CGPI4KAPIK3CD
SCHEMBL31185592 0.78 PIK3CA (0.59) PIK3CAMTORPIK3CGPI4KAPIK3CD
SCHEMBL25387808 0.78 PIK3CA (0.59) PIK3CAMTORPIK3CGPI4KAPIK3CD

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