SCHEMBL21318972

SCHEMBL21318972

CCCS(=N)c1nc(N)c2[nH]c(=O)n(Cc3ccc(C(=O)O)cc3)c2n1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 19/20 0.68
▸ TLR8 Q9NR97 1/20 0.52

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
SCHEMBL21318970 0.92 TLR7 (0.68) TLR7TLR8
SCHEMBL21318931 0.90 TLR7 (0.65) TLR7TLR8
SCHEMBL21318977 0.90 TLR7 (0.70) TLR7TLR8
SCHEMBL19945842 0.88 TLR7 (0.66) TLR7TLR8
SCHEMBL21318933 0.88 TLR7 (0.66) TLR7TLR8
SCHEMBL21319074 0.87 TLR7 (0.71) TLR7TLR8
SCHEMBL21319061 0.87 TLR7 (0.66) TLR7TLR8
SCHEMBL21318944 0.87 TLR7 (0.71) TLR7TLR8
SCHEMBL21318990 0.85 TLR7 (0.72) TLR7
SCHEMBL21319064 0.85 TLR7 (0.68) TLR7TLR8

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-3294740-B1 NOVEL SULFONIMIDOYLPURINONE COMPOUNDS AND DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2019-09-04 — — EP disclosed
Send feedback