SCHEMBL624445

SCHEMBL624445

COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 12/20 0.73
PIK3CD O00329 7/20 0.73
MTOR P42345 5/20 0.73
PIK3CG P48736 4/20 0.73
PIK3CB P42338 3/20 0.73
PIK3C3 Q8NEB9 2/20 0.73
PIK3R1 P27986 1/20 0.73
PRKDC P78527 1/20 0.73
PDE4D Q08499 1/20 0.73
RICTOR Q6R327 1/20 0.73
RPTOR Q8N122 1/20 0.73
PIP4K2C Q8TBX8 1/20 0.73
MAPKAP1 Q9BPZ7 1/20 0.73
MLST8 Q9BVC4 1/20 0.73
IRAK3 Q9Y616 1/20 0.73
PI4KA P42356 1/20 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
SCHEMBL731865 0.91 PIK3CA (0.72) PIK3CAPIK3CDMTORPIK3CGPIK3CB
SCHEMBL25494702 0.90 PIK3CA (0.66) PIK3CAPIK3CDMTORPIK3CGPIK3CB
SCHEMBL25495064 0.89 PIK3CA (0.61) PIK3CAPIK3CDMTORPIK3CGPIK3CB
SCHEMBL627675 0.88 PIK3CA (0.77) PIK3CAPIK3CDMTORPIK3CGPIK3CB
SCHEMBL15599518 0.87 PIK3CA (0.74) PIK3CAPIK3CDMTORPIK3CGPIK3CB
SCHEMBL25494703 0.86 PIK3CD (0.62) PIK3CAPIK3CDMTORPIK3CGPIK3CB
SCHEMBL729624 0.86 PIK3CA (0.74) PIK3CAPIK3CDMTORPIK3CGPIK3CB
SCHEMBL25494638 0.85 PIK3CD (0.67) PIK3CAPIK3CDMTORPIK3CGPI4KA
Omipalisib SCHEMBL623194 0.84 PIK3CA (1.00) PIK3CAPIK3CDMTORPIK3CGPIK3CB
Omipalisib SCHEMBL29358168 0.84 PIK3CA (1.00) PIK3CAPIK3CDMTORPIK3CGPIK3CB

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2488184-A1 COMBINATION GlaxoSmithKline LLC (US) 2012-08-22 EP claimed
EP-2482819-A2 COMBINATION GlaxoSmithKline LLC (US) 2012-08-08 EP claimed
WO-2011046894-A1 COMBINATION GLAXOSMITHKLINE LLC (US) 2011-04-21 WO claimed
WO-2011038380-A2 COMBINATION GLAXOSMITHKLINE LLC (US) 2011-03-31 WO claimed
EP-2603078-A1 COMBINATION GlaxoSmithKline LLC (US) 2013-06-19 EP disclosed
CN-102665720-A Combination GLAXOSMITHKLINE LLC 2012-09-12 CN disclosed
EP-2488184-A1 COMBINATION GlaxoSmithKline LLC (US) 2012-08-22 EP disclosed
EP-2488184-A1 COMBINATION GlaxoSmithKline LLC (US) 2012-08-22 EP disclosed
EP-2482819-A2 COMBINATION GlaxoSmithKline LLC (US) 2012-08-08 EP disclosed
WO-2012021480-A1 COMBINATION GLAXOSMITHKLINE LLC (US) 2012-02-16 WO disclosed
WO-2011046894-A1 COMBINATION GLAXOSMITHKLINE LLC (US) 2011-04-21 WO disclosed
WO-2011046894-A1 COMBINATION GLAXOSMITHKLINE LLC (US) 2011-04-21 WO disclosed
WO-2011038380-A2 COMBINATION GLAXOSMITHKLINE LLC (US) 2011-03-31 WO disclosed