SCHEMBL20386740

SCHEMBL20386740

CCCCC(CO)Nc1nc(N)ncc1CCc1cc(C)nn1C

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 9/20 0.44
▸ TLR7 Q9NYK1 6/20 0.44
▸ KCNH2 Q12809 9/20 0.39

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
SCHEMBL23472365 0.85 TLR8 (0.45) TLR8TLR7KCNH2
SCHEMBL20219389 0.84 TLR8 (0.43) TLR8TLR7KCNH2
SCHEMBL15469724 0.84 TLR8 (0.43) TLR8TLR7KCNH2
SCHEMBL20219653 0.79 TLR8 (0.43) TLR8TLR7KCNH2
SCHEMBL20386695 0.78 TLR8 (0.42) TLR8TLR7KCNH2
SCHEMBL15470290 0.78 TLR8 (0.42) TLR8TLR7KCNH2
SCHEMBL13195042 0.77 KCNH2 (0.46) TLR8TLR7KCNH2
SCHEMBL20219748 0.77 KCNH2 (0.46) TLR8TLR7KCNH2
SCHEMBL23472246 0.76 KCNH2 (0.36) TLR8TLR7KCNH2
SCHEMBL23472430 0.75 TLR8 (0.57) 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-2694484-B1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UC (IE) 2018-07-18 — — EP disclosed
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