SCHEMBL20219424

SCHEMBL20219424

CCCCNc1nc(N)ncc1OCCCc1ccc(OC)c(CC)c1CC

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 14/20 0.45
▸ TLR8 Q9NR97 4/20 0.45
▸ CYP1A2 P05177 1/20 0.43
▸ 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
SCHEMBL20219767 0.92 TLR7 (0.44) TLR7TLR8CYP1A2L3MBTL1
SCHEMBL15470097 0.88 TLR7 (0.47) TLR7TLR8CYP1A2L3MBTL1
SCHEMBL15470061 0.84 TLR7 (0.48) TLR7TLR8CYP1A2
SCHEMBL13195757 0.84 TLR7 (0.46) TLR7TLR8CYP1A2
SCHEMBL15470063 0.84 TLR7 (0.61) TLR7TLR8CYP1A2L3MBTL1
SCHEMBL20219729 0.84 L3MBTL1 (0.44) TLR7TLR8CYP1A2L3MBTL1
SCHEMBL15470092 0.83 TLR7 (0.46) TLR7TLR8CYP1A2L3MBTL1
SCHEMBL23472451 0.82 TLR7 (0.51) TLR7TLR8CYP1A2L3MBTL1
SCHEMBL15470064 0.82 TLR7 (0.53) TLR7TLR8CYP1A2L3MBTL1
SCHEMBL13195040 0.81 APP (0.50) TLR7TLR8

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
Send feedback