SCHEMBL18175028

SCHEMBL18175028

COCCCOc1c(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccn(CCN(C)C)n2)cc(OC)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 17/20 0.51
PIK3CD O00329 2/20 0.48
MAPT P10636 1/20 0.42

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
SCHEMBL4292830 0.93 PIK3CG (0.51) PIK3CGPIK3CD
SCHEMBL15199261 0.90 PIK3CG (0.47) PIK3CGPIK3CDMAPT
SCHEMBL4285883 0.88 PIK3CD (0.54) PIK3CGPIK3CDMAPT
SCHEMBL18175009 0.83 PIK3CG (0.47) PIK3CGPIK3CD
SCHEMBL15194173 0.83 PIK3CG (0.48) PIK3CGPIK3CD
SCHEMBL15199262 0.82 PIK3CG (0.40) PIK3CGPIK3CD
SCHEMBL2732860 0.82 PIK3CG (0.54) PIK3CGPIK3CD
SCHEMBL4292331 0.81 PIK3CD (0.53) PIK3CGPIK3CDMAPT
SCHEMBL2722409 0.80 PIK3CG (0.50) PIK3CGPIK3CDMAPT
SCHEMBL4294501 0.80 PIK3CG (0.48) PIK3CGPIK3CDMAPT

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
EP-2630129-B1 QUINOXALINE DERIVATES MERCK PATENT GMBH (DE) 2016-10-26 EP disclosed