SCHEMBL826074

SCHEMBL826074

CCOc1nc(N)nc2ccc(-c3cc(C(N)=O)ccc3S(=O)(=O)O)nc12

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 6/20 0.39
AGPAT2 O15120 1/20 0.36
MAPK1 P28482 1/20 0.35
MAPK8 P45983 2/20 0.35
RPS27 P42677 1/20 0.35
DHFR P00374 1/20 0.34
PARP10 Q53GL7 1/20 0.34
AR P10275 3/20 0.33
MAPK9 P45984 1/20 0.33
MAPK10 P53779 1/20 0.33
HSD17B10 Q99714 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.31
ALPL P05186 1/20 0.31
HSP90AA1 P07900 1/20 0.31

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
SCHEMBL826092 0.84 CHEK2 (0.36) CHEK2AGPAT2MAPK1MAPK8RPS27
SCHEMBL825976 0.83 CHEK2 (0.36) CHEK2AGPAT2MAPK1MAPK8RPS27
SCHEMBL825914 0.83 CHEK2 (0.34) CHEK2AGPAT2MAPK1MAPK8RPS27
SCHEMBL825682 0.83 CHEK2 (0.35) CHEK2AGPAT2MAPK1MAPK8RPS27
SCHEMBL4425330 0.80 CHEK2 (0.45) CHEK2AGPAT2MAPK1MAPK8RPS27
SCHEMBL4414487 0.79 MAP4K4 (0.45) CHEK2MAPK8DHFRMAPK9MAPK10
SCHEMBL823718 0.71 MAP4K4 (0.41) CHEK2MAPK8MAPK9
SCHEMBL4412814 0.71 MET (0.40) CHEK2MAPK1HSD17B10
SCHEMBL823761 0.70 MKNK2 (0.38) CHEK2AGPAT2MAPK8DHFRMAPK9
SCHEMBL4524543 0.70 MAPT (0.55) AGPAT2DHFRHSP90AA1

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
US-8143394-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2012-03-27 US disclosed