SCHEMBL3823005

SCHEMBL3823005

COc1ccc(C(=O)O)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccnc2)c1.COc1ccc(CCCO)c(Nc2nc3ccccc3nc2NS(=O)(=O)C2CCNCC2)c1

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 19/20 0.74
PIK3CD O00329 1/20 0.53

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
SCHEMBL3586093 0.86 PIK3CG (1.00) PIK3CG
Hydrochloric Acid SCHEMBL3587073 0.85 PIK3CG (0.98) PIK3CG
SCHEMBL3586596 0.82 PIK3CG (1.00) PIK3CGPIK3CD
SCHEMBL3580401 0.81 PIK3CG (1.00) PIK3CGPIK3CD
Potassium SCHEMBL3577697 0.80 PIK3CG (0.98) PIK3CGPIK3CD
SCHEMBL21313683 0.78 PIK3CG (0.82) PIK3CG
SCHEMBL3575746 0.77 PIK3CG (1.00) PIK3CG
Hydrochloric Acid SCHEMBL3572144 0.76 PIK3CG (0.98) PIK3CG
SCHEMBL3577815 0.76 PIK3CG (1.00) PIK3CGPIK3CD
SCHEMBL3584447 0.76 PIK3CG (0.76) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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