SCHEMBL22448316

SCHEMBL22448316

CCCC[C@@](C)(CO)Nc1nc(N)nc2cc(C)sc12

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 14/20 0.62
▸ TLR7 Q9NYK1 7/20 0.57
▸ KCNH2 Q12809 6/20 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
SCHEMBL25199509 0.76 TLR8 (0.67) TLR8TLR7KCNH2
SCHEMBL16441112 0.75 TLR8 (0.52) TLR8TLR7
SCHEMBL18109645 0.75 TLR8 (0.82) TLR8TLR7KCNH2
SCHEMBL18109647 0.75 TLR8 (0.82) TLR8TLR7KCNH2
SCHEMBL25194886 0.74 TLR8 (0.72) TLR8TLR7KCNH2
SCHEMBL25194884 0.74 TLR8 (0.72) TLR8TLR7KCNH2
SCHEMBL16441145 0.74 TLR8 (0.60) TLR8TLR7KCNH2
SCHEMBL16441143 0.74 TLR8 (0.60) TLR8TLR7KCNH2
SCHEMBL17830003 0.74 TLR8 (0.60) TLR8TLR7KCNH2
SCHEMBL25191521 0.73 TLR8 (0.70) TLR8TLR7KCNH2

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-3404031-B1 THIENO[3,2-D]PYRIMIDINES DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2020-09-23 — — EP disclosed
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