SCHEMBL790487

SCHEMBL790487

COc1ncc(-c2ccc3nc(N)c(C(=O)N4CCC5(CC4)OCCO5)cc3c2)cc1S(=O)(=O)Nc1cccc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 13/20 0.47
PI4KA P42356 10/20 0.47
PIK3C3 Q8NEB9 2/20 0.43
PIK3CA P42336 7/20 0.40
MTOR P42345 5/20 0.40
RAB9A P51151 1/20 0.40
PIK3CD O00329 3/20 0.39
PIK3CB P42338 3/20 0.39
PIK3R1 P27986 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
SCHEMBL807010 0.93 SMN1; SMN2 (0.44) PIK3CGPI4KAPIK3C3PIK3CARAB9A
SCHEMBL798453 0.93 PIK3CG (0.43) PIK3CGPI4KAPIK3C3PIK3CARAB9A
SCHEMBL807023 0.93 PIK3CG (0.49) PIK3CGPI4KAPIK3C3PIK3CAMTOR
SCHEMBL789808 0.90 PIK3CG (0.44) PIK3CGPI4KAPIK3C3PIK3CAMTOR
SCHEMBL807111 0.90 RAB9A (0.46) PIK3CGPI4KAPIK3CARAB9APIK3CD
SCHEMBL807247 0.89 PIK3CG (0.48) PIK3CGPI4KAPIK3C3PIK3CAMTOR
SCHEMBL789741 0.87 PI4KA (0.46) PIK3CGPI4KAPIK3CAMTORRAB9A
SCHEMBL806791 0.87 PI4KA (0.43) PIK3CGPI4KAPIK3C3PIK3CAMTOR
SCHEMBL790802 0.86 PIK3CG (0.64) PIK3CGPI4KAPIK3C3PIK3CAMTOR
SCHEMBL791568 0.85 PI4KA (0.43) PIK3CGPI4KAPIK3C3PIK3CAMTOR

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