SCHEMBL20219533

SCHEMBL20219533

CCCC(CO)Nc1nc(N(C(C)=O)C(C)=O)ncc1OCc1ncc(C)c(OC)c1C

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AGXT P21549 1/20 0.37
▸ TLR7 Q9NYK1 9/20 0.37
▸ TLR8 Q9NR97 6/20 0.37
▸ LPAR3 Q9UBY5 4/20 0.35
▸ ENPP2 Q13822 2/20 0.34
▸ LPAR1 Q92633 2/20 0.34
▸ CRHR1 P34998 2/20 0.33
▸ DDAH1 O94760 1/20 0.32
▸ SARM1 Q6SZW1 1/20 0.32
▸ IDO2 Q6ZQW0 1/20 0.32
▸ ENGASE Q8NFI3 1/20 0.32

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
SCHEMBL15469706 1.00 AGXT (0.37) AGXTTLR7TLR8LPAR3ENPP2
SCHEMBL20386679 0.89 TLR7 (0.35) TLR7TLR8
SCHEMBL20413272 0.85 AGXT (0.43) AGXTTLR7TLR8LPAR3ENPP2
SCHEMBL15469707 0.83 TLR7 (0.46) AGXTTLR7TLR8
SCHEMBL20219310 0.83 TLR7 (0.46) AGXTTLR7TLR8
SCHEMBL23472172 0.81 AGXT (0.39) AGXTTLR7TLR8LPAR3ENPP2
SCHEMBL20386616 0.81 AGXT (0.39) AGXTTLR7TLR8LPAR3ENPP2
SCHEMBL20219641 0.79 TLR7 (0.47) AGXTTLR7TLR8LPAR3CRHR1
SCHEMBL15470158 0.78 TLR7 (0.43) AGXTTLR7TLR8LPAR3
SCHEMBL15470137 0.77 TLR7 (0.54) AGXTTLR7TLR8

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-3590928-B1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2021-06-09 — — EP disclosed
EP-3330257-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS Janssen Sciences Ireland UC (IE) 2018-06-06 — — EP disclosed
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