SCHEMBL4291916

SCHEMBL4291916

C=N/C(=C\C)S(=O)(=O)Nc1nc2ccccc2nc1Nc1cc(OC)cc(OC)c1CCCN1CCS(=O)(=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 18/20 0.42
MAPT P10636 1/20 0.39
PIK3CD O00329 1/20 0.39

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
SCHEMBL10044539 0.83 MAPT (0.51) PIK3CGMAPTPIK3CD
SCHEMBL4286067 0.81 PIK3CD (0.63) PIK3CGPIK3CD
SCHEMBL4284311 0.81 PIK3CG (0.56) PIK3CGMAPTPIK3CD
SCHEMBL10044540 0.78 PIK3CD (0.61) PIK3CGPIK3CD
SCHEMBL15180091 0.71 PIK3CG (0.74) PIK3CGMAPT
SCHEMBL4294206 0.68 PIK3CG (0.54) PIK3CGMAPTPIK3CD
SCHEMBL10044925 0.68 PIK3CG (0.73) PIK3CGPIK3CD
SCHEMBL10044523 0.67 SIGMAR1 (0.44) MAPT
SCHEMBL4286070 0.67 PIK3CG (0.60) PIK3CGMAPTPIK3CD
SCHEMBL18175023 0.66 MAPT (0.40) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

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