SCHEMBL18167151

SCHEMBL18167151

COc1cc(Nc2nc3ccccc3nc2C(N)=O)c(OCCC(C)(C)O)c(OC)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 6/20 0.38
MAPT P10636 5/20 0.37
SHMT2 P34897 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
BRD4 O60885 2/20 0.36
HSD17B10 Q99714 1/20 0.36
PARP1 P09874 1/20 0.36
PIK3CD O00329 3/20 0.35
THRB P10828 1/20 0.35
KMT2A Q03164 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PRKDC P78527 1/20 0.35
PIK3C3 Q8NEB9 1/20 0.35

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
SCHEMBL18167157 0.90 PIK3CG (0.46) PIK3CGMAPTSHMT2KDM4EGAA
SCHEMBL18167163 0.88 PIK3CG (0.44) PIK3CGMAPTBRD4
SCHEMBL18167162 0.87 PIK3CG (0.44) PIK3CGMAPTBRD4
SCHEMBL18167152 0.87 NPC1 (0.37) PIK3CGMAPTSHMT2KDM4EPIK3CD
SCHEMBL15192968 0.86 PIK3CG (0.42) PIK3CGMAPTSHMT2KDM4EGAA
SCHEMBL15193666 0.86 MAPT (0.39) PIK3CGMAPTSHMT2KDM4EGAA
SCHEMBL18167149 0.85 PIK3CG (0.38) PIK3CGMAPTSHMT2KDM4EGAA
SCHEMBL18167159 0.85 PIK3CG (0.46) PIK3CGMAPT
SCHEMBL15192985 0.85 MAPT (0.46) PIK3CGMAPTSHMT2KDM4EGAA
SCHEMBL18167147 0.85 PIK3CG (0.39) PIK3CGMAPTSHMT2KDM4EGAA

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 claimed