SCHEMBL18644351

SCHEMBL18644351

CCCC[C@@H](CCS(C)(=O)=O)Nc1nc(C)ncc1OC

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 13/20 0.49
▸ TLR8 Q9NR97 2/20 0.38
▸ KCNH2 Q12809 5/20 0.36
▸ CCR4 P51679 1/20 0.34

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
SCHEMBL18648360 0.89 TLR7 (0.53) TLR7TLR8KCNH2
SCHEMBL18644344 0.89 TLR7 (0.53) TLR7TLR8KCNH2
SCHEMBL18644353 0.81 TLR7 (0.37) TLR7TLR8KCNH2
SCHEMBL23472393 0.79 TLR7 (0.40) TLR7TLR8KCNH2
SCHEMBL20413303 0.79 TLR7 (0.37) TLR7TLR8KCNH2
SCHEMBL23472404 0.76 TLR7 (0.51) TLR7TLR8KCNH2
SCHEMBL20413266 0.74 TRPM8 (0.41) TLR7TLR8
SCHEMBL20386702 0.74 TLR7 (0.46) TLR7TLR8KCNH2
SCHEMBL19274277 0.73 TLR7 (0.48) TLR7TLR8KCNH2
SCHEMBL13195144 0.73 TLR7 (0.63) 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
US-9598378-B2 2-aminopyrimidine derivatives for the treatment of viral infections JANSSEN SCIENCES IRELAND UC (IE) 2017-03-21 — — US disclosed
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