SCHEMBL3835583

SCHEMBL3835583

COc1ccc(C(=O)O)c(Nc2nc3ccccc3nc2NS(C)(=O)=O)c1

nearest known ligand 0.84

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 17/20 0.84
AKR1C3 P42330 2/20 0.57
AKR1C2 P52895 2/20 0.57
DUSP26 Q9BV47 1/20 0.55

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
SCHEMBL3577388 0.91 PIK3CG (1.00) PIK3CG
SCHEMBL2300757 0.84 PIK3CG (0.72) PIK3CG
SCHEMBL3586596 0.83 PIK3CG (1.00) PIK3CGDUSP26
SCHEMBL21313685 0.82 PIK3CG (0.87) PIK3CG
SCHEMBL3579454 0.81 PIK3CG (1.00) PIK3CG
Potassium SCHEMBL3577211 0.80 PIK3CG (0.98) PIK3CG
SCHEMBL3579243 0.79 PIK3CG (1.00) PIK3CG
SCHEMBL3577703 0.78 PIK3CG (1.00) PIK3CG
Potassium SCHEMBL3575892 0.78 PIK3CG (0.98) PIK3CG
SCHEMBL21321260 0.77 PIK3CG (0.78) PIK3CG

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 3 patents. 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 claimed
EP-2118076-A1 QUINOXALINE COMPOUNDS AND USE THEREOF Merck Serono S.A. (CH) 2009-11-18 EP disclosed
WO-2008101979-A1 QUINOXALINE COMPOUNDS AND USE THEREOF MERCK SERONO S.A. (CH) 2008-08-28 WO disclosed