SCHEMBL20219648

SCHEMBL20219648

CCCCC(CCO)Nc1ncncc1CCc1ccncc1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 4/20 0.43
▸ KCNH2 Q12809 10/20 0.41
▸ TLR7 Q9NYK1 8/20 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
SCHEMBL20386604 0.84 TLR8 (0.53) TLR8KCNH2TLR7
SCHEMBL20219712 0.84 TLR8 (0.46) TLR8KCNH2TLR7
SCHEMBL20219576 0.81 TLR8 (0.43) TLR8KCNH2TLR7
SCHEMBL21919465 0.81 TLR8 (0.43) TLR8KCNH2TLR7
SCHEMBL21769267 0.77 KCNH2 (0.49) TLR8KCNH2TLR7
SCHEMBL20386729 0.77 KCNH2 (0.49) TLR8KCNH2TLR7
SCHEMBL23472389 0.72 KCNH2 (0.47) TLR8KCNH2TLR7
SCHEMBL20413295 0.71 TLR8 (0.44) TLR8KCNH2TLR7
SCHEMBL23472416 0.71 TLR8 (0.44) TLR8KCNH2TLR7
SCHEMBL20219744 0.71 TLR7 (0.41) TLR8KCNH2TLR7

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
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