SCHEMBL10132422

SCHEMBL10132422

COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)[C@H]2CCS(=O)(=O)C2)c(OCCCO)c(OC)c1

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 19/20 0.72
MAPT P10636 1/20 0.42

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
SCHEMBL4294713 1.00 PIK3CG (0.72) PIK3CGMAPT
SCHEMBL15180091 0.88 PIK3CG (0.74) PIK3CGMAPT
SCHEMBL10044542 0.87 PIK3CG (0.57) PIK3CG
SCHEMBL3582269 0.83 PIK3CG (1.00) PIK3CG
SCHEMBL14094957 0.83 PIK3CG (1.00) PIK3CG
SCHEMBL4285724 0.83 PIK3CG (0.66) PIK3CG
SCHEMBL3586252 0.82 PIK3CG (1.00) PIK3CG
SCHEMBL4287398 0.80 PIK3CG (0.53) PIK3CGMAPT
SCHEMBL4288292 0.80 PIK3CG (0.59) PIK3CGMAPT
SCHEMBL4294735 0.80 PIK3CG (0.52) PIK3CGMAPT

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-2012052102-A1 QUINOXALINE DERIVATES MERCK PATENT GMBH (DE) 2012-04-26 WO disclosed