SCHEMBL19610445

SCHEMBL19610445

CCCC(C)Oc1nc(N)c2nc(OC)n(CCC3CCCNC3)c2n1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 19/20 0.46
TLR8 Q9NR97 7/20 0.46
NPY1R P25929 1/20 0.31

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
SCHEMBL1841956 1.00 TLR7 (0.46) TLR7TLR8NPY1R
SCHEMBL1842486 0.95 TLR7 (0.51) TLR7TLR8
SCHEMBL1837719 0.94 TLR7 (0.54) TLR7TLR8
SCHEMBL19610412 0.94 TLR7 (0.54) TLR7TLR8
SCHEMBL1843919 0.89 TLR7 (0.57) TLR7TLR8
SCHEMBL1841874 0.84 TLR7 (0.41) TLR7TLR8
SCHEMBL2198489 0.84 TLR7 (0.46) TLR7TLR8
SCHEMBL1843049 0.84 TLR7 (0.43) TLR7TLR8
SCHEMBL2198836 0.84 TLR7 (0.46) TLR7TLR8
SCHEMBL1840210 0.84 TLR7 (0.62) 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-3246030-A1 NOVEL ADENINE DERIVATIVES GlaxoSmithKline LLC (US) 2017-11-22 EP disclosed