SCHEMBL23472602

SCHEMBL23472602

CCCCNc1nc(N)ncc1OCCCc1ccc(C)c(CCC)c1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 14/20 0.47
▸ TLR8 Q9NR97 6/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL20219768 0.88 TLR7 (0.47) TLR7TLR8L3MBTL1
SCHEMBL23472653 0.85 TLR8 (0.55) TLR7TLR8L3MBTL1
SCHEMBL23472139 0.84 TLR8 (0.56) TLR7TLR8L3MBTL1
SCHEMBL13195767 0.83 TLR7 (0.48) TLR7TLR8L3MBTL1
SCHEMBL13195040 0.83 APP (0.50) TLR7TLR8
SCHEMBL20219532 0.82 TLR7 (0.54) TLR7TLR8L3MBTL1
SCHEMBL15470069 0.82 TLR7 (0.48) TLR7TLR8L3MBTL1
SCHEMBL15469985 0.82 TLR8 (0.54) TLR7TLR8L3MBTL1
SCHEMBL13195051 0.82 TLR7 (0.68) TLR7TLR8L3MBTL1
SCHEMBL23472535 0.81 TLR8 (0.50) TLR7TLR8L3MBTL1

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-3590928-B1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2021-06-09 — — EP disclosed
Send feedback