SCHEMBL10044540

SCHEMBL10044540

C=S1(=O)CCN(CCCc2c(Nc3nc4ccccc4nc3NS(=O)(=O)c3cn(C)cn3)cc(OC)cc2OC)CC1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.61
PIK3CG P48736 19/20 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
SCHEMBL4286067 0.94 PIK3CD (0.63) PIK3CDPIK3CG
SCHEMBL10044925 0.85 PIK3CG (0.73) PIK3CDPIK3CG
SCHEMBL2733188 0.83 PIK3CD (0.76) PIK3CDPIK3CG
SCHEMBL10044539 0.80 MAPT (0.51) PIK3CDPIK3CG
SCHEMBL4291444 0.79 PIK3CD (0.80) PIK3CDPIK3CG
SCHEMBL4284311 0.78 PIK3CG (0.56) PIK3CDPIK3CG
SCHEMBL2732634 0.78 PIK3CD (0.78) PIK3CDPIK3CG
SCHEMBL2732709 0.78 PIK3CD (0.78) PIK3CDPIK3CG
SCHEMBL10044924 0.78 PIK3CD (0.65) PIK3CDPIK3CG
SCHEMBL4291916 0.78 PIK3CG (0.42) PIK3CDPIK3CG

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-2012052420-A1 METHOD FOR PREPARING SUBSTITUTED N-(3-AMINO-QUINOXALIN-2-YL)-SULFONAMIDES AND THEIR INTERMEDIATES N-(3-CHLORO-QUINOXALIN-2-YL)SULFONAMIDES MERCK SERONO S.A. GENEVA (CH) 2012-04-26 WO disclosed