SCHEMBL23472282

SCHEMBL23472282

CCCC[C@@H](CCO)Nc1nc(N)ncc1OCCCc1ccc2c(c1)CCO2

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 9/20 0.42
▸ TLR8 Q9NR97 2/20 0.42
▸ KCNH2 Q12809 9/20 0.42
▸ F2 P00734 1/20 0.38

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
SCHEMBL15470269 0.88 TLR7 (0.44) TLR7TLR8KCNH2
SCHEMBL20219282 0.85 KCNH2 (0.37) TLR7TLR8KCNH2
SCHEMBL15470255 0.83 TLR7 (0.42) TLR7TLR8KCNH2
SCHEMBL23472236 0.83 KCNH2 (0.43) TLR7TLR8KCNH2
SCHEMBL15470234 0.82 TLR7 (0.43) TLR7TLR8
SCHEMBL20219614 0.82 TLR7 (0.43) TLR7TLR8
SCHEMBL23472692 0.81 KCNH2 (0.34) TLR7TLR8KCNH2
SCHEMBL15469988 0.81 KCNH2 (0.57) TLR7TLR8KCNH2
SCHEMBL20219557 0.81 KCNH2 (0.57) TLR7TLR8KCNH2
SCHEMBL20386791 0.81 KCNH2 (0.46) TLR7TLR8KCNH2

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
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