SCHEMBL790025

SCHEMBL790025

CCS(=O)(=O)c1ccc(-c2cc3cc(-c4cnc(OC)c(NS(=O)(=O)C5CC5)c4)ccc3nc2N)cc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 8/20 0.56
PI4KA P42356 7/20 0.56
PIK3CA P42336 8/20 0.51
MTOR P42345 2/20 0.50
ATM Q13315 1/20 0.50
ATR Q13535 1/20 0.50
PIK3CD O00329 4/20 0.46
PIK3CB P42338 1/20 0.44

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
SCHEMBL796868 0.91 PIK3CG (0.60) PIK3CGPI4KAPIK3CAPIK3CDPIK3CB
SCHEMBL806962 0.86 PI4KA (0.62) PIK3CGPI4KAPIK3CAMTORPIK3CD
SCHEMBL791172 0.86 PI4KA (0.68) PIK3CGPI4KAPIK3CAMTORPIK3CD
SCHEMBL807197 0.86 PIK3CG (0.59) PIK3CGPI4KAPIK3CAMTORPIK3CD
SCHEMBL10274684 0.85 PIK3CG (0.60) PIK3CGPI4KAPIK3CAMTORPIK3CD
SCHEMBL790314 0.85 PIK3CG (0.56) PIK3CGPI4KAPIK3CAPIK3CDPIK3CB
SCHEMBL789858 0.84 PI4KA (0.59) PIK3CGPI4KAPIK3CAMTORPIK3CD
SCHEMBL791562 0.84 PIK3CG (0.57) PIK3CGPI4KAPIK3CAMTORPIK3CD
SCHEMBL790922 0.84 PI4KA (0.60) PIK3CGPI4KAPIK3CAMTORPIK3CD
SCHEMBL790028 0.84 PI4KA (0.60) PIK3CGPI4KAPIK3CAMTORPIK3CD

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