SCHEMBL20219671

SCHEMBL20219671

CCCCNc1nc(N)ncc1CCCCc1ccc(CC)c(CC)c1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ TLR7 Q9NYK1 16/20 0.46
▸ TLR8 Q9NR97 11/20 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
SCHEMBL20219607 0.88 TLR7 (0.52) L3MBTL1TLR7TLR8
SCHEMBL20219369 0.87 DHFR (0.50) DHFRL3MBTL1TLR7TLR8
SCHEMBL23472595 0.85 TLR8 (0.54) L3MBTL1TLR7TLR8
SCHEMBL13195740 0.84 L3MBTL1 (0.57) L3MBTL1TLR7TLR8
SCHEMBL23472257 0.83 L3MBTL1 (0.58) L3MBTL1TLR7TLR8
SCHEMBL20219488 0.82 TLR7 (0.51) L3MBTL1TLR7TLR8
SCHEMBL20219655 0.82 TLR8 (0.50) L3MBTL1TLR7TLR8
SCHEMBL20219258 0.82 TLR7 (0.44) L3MBTL1TLR7TLR8
SCHEMBL20219263 0.82 L3MBTL1 (0.48) DHFRL3MBTL1TLR7TLR8
SCHEMBL20219619 0.81 TLR7 (0.55) DHFRTLR7TLR8

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-3330257-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS Janssen Sciences Ireland UC (IE) 2018-06-06 — — EP disclosed
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