SCHEMBL18167154

SCHEMBL18167154

COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cn(C)cn2)c2oc(OC(=O)N(C)C)cc2c1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 19/20 0.62
PIK3CD O00329 1/20 0.61

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
SCHEMBL4294087 0.88 PIK3CG (0.68) PIK3CGPIK3CD
SCHEMBL2733265 0.81 PIK3CD (0.70) PIK3CGPIK3CD
SCHEMBL3585174 0.77 PIK3CG (1.00) PIK3CGPIK3CD
SCHEMBL21313685 0.77 PIK3CG (0.87) PIK3CGPIK3CD
SCHEMBL2732639 0.77 PIK3CD (0.71) PIK3CGPIK3CD
SCHEMBL2731821 0.77 PIK3CD (0.74) PIK3CGPIK3CD
SCHEMBL4291444 0.77 PIK3CD (0.80) PIK3CGPIK3CD
SCHEMBL3576051 0.76 PIK3CG (1.00) PIK3CGPIK3CD
SCHEMBL2300333 0.76 PIK3CD (1.00) PIK3CGPIK3CD
SCHEMBL2733264 0.76 PIK3CD (0.70) PIK3CGPIK3CD

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