SCHEMBL21313697

SCHEMBL21313697

COC(=O)c1ccc(OC)cc1Nc1nc2ccccc2nc1NS(=O)(=O)c1cccnc1.COC(=O)c1ccc(OC)cc1Nc1nc2ccccc2nc1NS(C)(=O)=O.COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccnc2)cc(C(=O)N2CCN(C)CC2)c1

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 19/20 0.80
PIK3CD O00329 1/20 0.54

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
SCHEMBL3582496 0.89 PIK3CG (1.00) PIK3CGPIK3CD
SCHEMBL3577815 0.83 PIK3CG (1.00) PIK3CGPIK3CD
SCHEMBL3584606 0.82 PIK3CG (1.00) PIK3CGPIK3CD
SCHEMBL2306904 0.77 PIK3CG (0.75) PIK3CGPIK3CD
SCHEMBL2306857 0.77 PIK3CG (0.75) PIK3CGPIK3CD
SCHEMBL3586596 0.77 PIK3CG (1.00) PIK3CGPIK3CD
Potassium SCHEMBL2363936 0.76 PIK3CG (0.74) PIK3CGPIK3CD
SCHEMBL3577388 0.76 PIK3CG (1.00) PIK3CG
SCHEMBL188616 0.75 PIK3CG (0.71) PIK3CGPIK3CD
SCHEMBL3576427 0.74 PIK3CG (1.00) PIK3CGPIK3CD

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
EP-2118076-B1 QUINOXALINE COMPOUNDS AND USE THEREOF MERCK SERONO SA (CH) 2019-09-04 EP disclosed