SCHEMBL20219553

SCHEMBL20219553

C=C(OCC[C@H](CCCC)Nc1nc(N)ncc1OC)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 13/20 0.44
▸ TLR8 Q9NR97 6/20 0.44
▸ KCNH2 Q12809 3/20 0.41

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
SCHEMBL15470279 0.89 TLR7 (0.46) TLR7TLR8KCNH2
SCHEMBL20219633 0.85 TLR7 (0.46) TLR7TLR8KCNH2
SCHEMBL23472404 0.83 TLR7 (0.51) TLR7TLR8KCNH2
SCHEMBL19274182 0.83 TLR7 (0.43) TLR7TLR8KCNH2
SCHEMBL15469944 0.83 TLR7 (0.43) TLR7TLR8KCNH2
SCHEMBL19269139 0.82 TLR7 (0.63) TLR7TLR8KCNH2
SCHEMBL13195845 0.82 TLR7 (0.63) TLR7TLR8KCNH2
SCHEMBL13195144 0.82 TLR7 (0.63) TLR7TLR8KCNH2
SCHEMBL13195694 0.81 TLR7 (0.54) TLR7TLR8KCNH2
SCHEMBL13195729 0.81 TLR7 (0.54) 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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