SCHEMBL20219744

SCHEMBL20219744

CCC[C@@H](CCO)Nc1ncncc1CCCCc1ccc(C)c(OCC)c1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 15/20 0.41
▸ TLR8 Q9NR97 7/20 0.41
▸ KCNH2 Q12809 1/20 0.35

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
SCHEMBL23472411 0.78 TLR7 (0.47) TLR7TLR8KCNH2
SCHEMBL20386791 0.74 KCNH2 (0.46) TLR7TLR8KCNH2
SCHEMBL20219648 0.71 TLR8 (0.43) TLR7TLR8KCNH2
SCHEMBL23472276 0.69 TLR7 (0.37) TLR7TLR8
SCHEMBL20386690 0.69 TLR7 (0.37) TLR7TLR8
SCHEMBL20219712 0.67 TLR8 (0.46) TLR7TLR8KCNH2
SCHEMBL20219258 0.66 TLR7 (0.44) TLR7TLR8
SCHEMBL23472420 0.66 CYP2D6 (0.39) TLR7TLR8KCNH2
SCHEMBL20413288 0.65 HPGD (0.39) TLR7TLR8KCNH2
SCHEMBL23472609 0.64 KCNH2 (0.37) 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-3330257-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS Janssen Sciences Ireland UC (IE) 2018-06-06 — — EP disclosed
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