SCHEMBL4291799

SCHEMBL4291799

COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(N)cc2)c(OCCN2CCOCC2)c(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 11/20 0.53
MAPT P10636 4/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
HTT P42858 1/20 0.49
ALDH1A1 P00352 1/20 0.48
PIK3CD O00329 5/20 0.47
PIK3CA P42336 1/20 0.47
PIK3CB P42338 1/20 0.47

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
SCHEMBL4285465 0.91 PIK3CG (0.55) PIK3CGMAPTMEN1KMT2AKDM4E
SCHEMBL10044924 0.87 PIK3CD (0.65) PIK3CGPIK3CD
SCHEMBL18167155 0.85 SYK (0.47) PIK3CGMAPT
SCHEMBL10044927 0.84 MAPT (0.55) PIK3CGMAPTMEN1KMT2AALDH1A1
SCHEMBL18175007 0.83 PIK3CG (0.47) PIK3CGMAPTKMT2APIK3CD
SCHEMBL18167153 0.81 EGFR (0.45) PIK3CGMAPTMEN1KMT2AKDM4E
SCHEMBL4296830 0.80 PIK3CG (0.54) PIK3CGMAPTMEN1KMT2APIK3CD
SCHEMBL4300600 0.79 MAPT (0.54) PIK3CGMAPTMEN1KMT2AALDH1A1
SCHEMBL15194269 0.78 PIK3CG (0.60) PIK3CGMAPTPIK3CD
SCHEMBL4288292 0.77 PIK3CG (0.59) PIK3CGMAPTPIK3CD

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