SCHEMBL23472467

SCHEMBL23472467

CCCCNc1nc(N)ncc1OCCOc1ccccc1OC

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 12/20 0.56
▸ TLR8 Q9NR97 8/20 0.56
▸ CYP1A2 P05177 4/20 0.53
▸ CYP2D6 P10635 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ CYP3A4 P08684 1/20 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
SCHEMBL15470025 0.90 CYP1A2 (0.53) TLR7TLR8CYP1A2CYP2D6L3MBTL1
SCHEMBL13195727 0.89 TLR7 (0.57) TLR7TLR8CYP1A2CYP2D6L3MBTL1
SCHEMBL15470063 0.89 TLR7 (0.61) TLR7TLR8CYP1A2CYP2D6L3MBTL1
SCHEMBL15470045 0.86 TLR7 (0.45) TLR7TLR8CYP1A2L3MBTL1
SCHEMBL13195128 0.86 TLR8 (0.62) TLR7TLR8CYP1A2L3MBTL1
SCHEMBL13195825 0.86 L3MBTL1 (0.57) TLR7TLR8L3MBTL1
SCHEMBL13195687 0.86 L3MBTL1 (0.57) TLR7TLR8CYP1A2L3MBTL1
SCHEMBL23472495 0.86 TLR7 (0.49) TLR7TLR8L3MBTL1
SCHEMBL13195707 0.86 TLR7 (0.54) TLR7TLR8CYP1A2CYP2D6L3MBTL1
SCHEMBL15470018 0.85 TLR7 (0.49) TLR7TLR8CYP1A2L3MBTL1

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