SCHEMBL20219729

SCHEMBL20219729

CCCCNc1nc(N)ncc1OCCCc1cc(OC)ccc1CC

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ TLR7 Q9NYK1 11/20 0.43
▸ TLR8 Q9NR97 4/20 0.43
▸ MTNR1A P48039 1/20 0.43
▸ MTNR1B P49286 1/20 0.43
▸ CYP1A2 P05177 1/20 0.41

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
SCHEMBL15470061 0.91 TLR7 (0.48) TLR7TLR8MTNR1AMTNR1BCYP1A2
SCHEMBL13195757 0.91 TLR7 (0.46) TLR7TLR8CYP1A2
SCHEMBL23472451 0.86 TLR7 (0.51) L3MBTL1TLR7TLR8CYP1A2
SCHEMBL13195073 0.85 TLR7 (0.53) L3MBTL1TLR7TLR8
SCHEMBL23472495 0.84 TLR7 (0.49) L3MBTL1TLR7TLR8
SCHEMBL23472461 0.84 TLR8 (0.43) L3MBTL1TLR7TLR8
SCHEMBL20219424 0.84 TLR7 (0.45) L3MBTL1TLR7TLR8CYP1A2
SCHEMBL15470097 0.83 TLR7 (0.47) L3MBTL1TLR7TLR8CYP1A2
SCHEMBL23472260 0.83 TLR7 (0.52) L3MBTL1TLR7TLR8
SCHEMBL15470092 0.83 TLR7 (0.46) L3MBTL1TLR7TLR8CYP1A2

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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