SCHEMBL21919317

SCHEMBL21919317

C=C(C)Nc1ncc(OC)c(NC(CCCC)CC(=C)OC)n1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 14/20 0.39
▸ TLR8 Q9NR97 5/20 0.37
▸ KCNH2 Q12809 2/20 0.35
▸ STK17A Q9UEE5 1/20 0.33
▸ TRPM8 Q7Z2W7 1/20 0.32

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
SCHEMBL17123642 0.82 TLR7 (0.42) TLR7TLR8KCNH2
SCHEMBL20025838 0.76 TLR7 (0.43) TLR7TLR8KCNH2TRPM8
SCHEMBL22825028 0.76 TLR7 (0.43) TLR7TLR8KCNH2TRPM8
SCHEMBL21693478 0.75 TLR7 (0.50) TLR7TLR8KCNH2TRPM8
SCHEMBL23185623 0.73 TLR7 (0.43) TLR7TLR8
SCHEMBL13195729 0.72 TLR7 (0.54) TLR7TLR8KCNH2
SCHEMBL20219473 0.72 TLR7 (0.54) TLR7TLR8KCNH2
SCHEMBL13195694 0.72 TLR7 (0.54) TLR7TLR8KCNH2
SCHEMBL17123641 0.72 P2RX3 (0.41) TLR7TLR8KCNH2TRPM8
SCHEMBL23472404 0.72 TLR7 (0.51) 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-2903967-B3 ACYLAMINOPYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS AND FURTHER DISEASES JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2020-04-15 — — EP disclosed
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