SCHEMBL4302115

SCHEMBL4302115

CCCOc1c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccnc2)cc(OC)cc1OC

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.70
PIK3CG P48736 15/20 0.64
MAPT P10636 1/20 0.51
SLC40A1 Q9NP59 1/20 0.50

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
SCHEMBL2723304 0.92 PIK3CD (0.68) PIK3CDPIK3CGMAPT
SCHEMBL4289089 0.90 PIK3CD (0.65) PIK3CDPIK3CGMAPTSLC40A1
SCHEMBL4291785 0.89 PIK3CD (0.64) PIK3CDPIK3CGMAPTSLC40A1
SCHEMBL4287828 0.88 PIK3CD (0.62) PIK3CDPIK3CGMAPT
SCHEMBL2303352 0.83 PIK3CD (1.00) PIK3CDPIK3CGMAPT
SCHEMBL4288292 0.82 PIK3CG (0.59) PIK3CDPIK3CGMAPT
SCHEMBL2722971 0.82 PIK3CG (0.57) PIK3CDPIK3CGMAPT
SCHEMBL4292331 0.81 PIK3CD (0.53) PIK3CDPIK3CGMAPT
SCHEMBL4288631 0.80 PIK3CG (0.59) PIK3CDPIK3CGMAPT
SCHEMBL2302991 0.79 PIK3CD (0.82) PIK3CDPIK3CGMAPT

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