SCHEMBL18174989

SCHEMBL18174989

COc1cc(O)cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)c1OCCCO

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
POLB P06746 1/20 0.55
PIK3CG P48736 11/20 0.53
PIK3CD O00329 2/20 0.51
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.46

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
SCHEMBL4288292 0.91 PIK3CG (0.59) MAPTPOLBPIK3CGPIK3CD
SCHEMBL2722971 0.85 PIK3CG (0.57) MAPTPIK3CGPIK3CD
SCHEMBL10044545 0.84 PIK3CG (0.58) MAPTPOLBPIK3CGPIK3CDKMT2A
SCHEMBL18175013 0.83 PIK3CG (0.56) MAPTPIK3CGPIK3CDKMT2AMEN1
SCHEMBL15193636 0.83 PIK3CG (0.58) MAPTPIK3CGPIK3CDKMT2AMEN1
SCHEMBL4288631 0.83 PIK3CG (0.59) MAPTPOLBPIK3CGPIK3CDKMT2A
SCHEMBL2723304 0.83 PIK3CD (0.68) MAPTPIK3CGPIK3CD
SCHEMBL2721570 0.83 PIK3CG (0.60) MAPTPIK3CGPIK3CDKMT2AMEN1
SCHEMBL2730711 0.82 PIK3CG (0.68) MAPTPIK3CGPIK3CD
SCHEMBL2722966 0.81 PIK3CG (0.68) MAPTPIK3CGPIK3CD

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