SCHEMBL825682

SCHEMBL825682

CCOc1nc(N)nc2ccc(-c3cc(C(N)=O)ccc3C(C(F)(F)F)S(=O)(=O)O)nc12

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 2/20 0.35
AGPAT2 O15120 1/20 0.33
ACSS2 Q9NR19 1/20 0.32
RPS27 P42677 1/20 0.32
MAPK8 P45983 1/20 0.32
MAPK1 P28482 1/20 0.31
DHFR P00374 1/20 0.31
TRPV1 Q8NER1 1/20 0.30
PARP10 Q53GL7 1/20 0.30

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
SCHEMBL826074 0.83 CHEK2 (0.39) CHEK2AGPAT2RPS27MAPK8MAPK1
SCHEMBL826092 0.82 CHEK2 (0.36) CHEK2AGPAT2RPS27MAPK8MAPK1
SCHEMBL825976 0.78 CHEK2 (0.36) CHEK2AGPAT2RPS27MAPK8MAPK1
SCHEMBL825914 0.76 CHEK2 (0.34) CHEK2AGPAT2RPS27MAPK8MAPK1
SCHEMBL4425330 0.75 CHEK2 (0.45) CHEK2AGPAT2RPS27MAPK8MAPK1
SCHEMBL4414487 0.74 MAP4K4 (0.45) CHEK2MAPK8DHFR
SCHEMBL5122635 0.70 CTNNB1 (0.36) MAPK1
SCHEMBL4530939 0.69 HSP90AA1 (0.35) MAPK1DHFR
SCHEMBL4523975 0.69 MAPT (0.37) DHFR
SCHEMBL4412814 0.68 MET (0.40) CHEK2MAPK1

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