SCHEMBL12330658

SCHEMBL12330658

CCOCCOCc1c(C)nc(Cl)nc1NCCCN1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 13/20 0.48
▸ TLR8 Q9NR97 9/20 0.48
▸ PGK1 P00558 2/20 0.42
▸ KMT5A Q9NQR1 1/20 0.36

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
SCHEMBL12330973 0.84 TLR7 (0.56) TLR7TLR8PGK1KMT5A
SCHEMBL12330935 0.77 TLR9 (0.52) TLR7TLR8
SCHEMBL12330665 0.77 TLR8 (0.47) TLR7TLR8PGK1KMT5A
SCHEMBL12330972 0.75 TLR8 (0.45) TLR7TLR8PGK1KMT5A
SCHEMBL12330647 0.75 PIK3CG (0.32) —
SCHEMBL12330986 0.69 ACHE (0.47) TLR7TLR8KMT5A
SCHEMBL12655047 0.68 HRH3 (0.48) TLR7TLR8PGK1
SCHEMBL12654844 0.66 PGK1 (0.40) TLR7TLR8PGK1KMT5A
SCHEMBL12330931 0.66 PGK1 (0.47) TLR7TLR8PGK1KMT5A
SCHEMBL34462304 0.66 ATM (0.50) —

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
WO-2011115183-A1 NOVEL MONOCYCLIC PYRIMIDINE DERIVATIVE 大日本住友製薬株式会社 (JP) 2011-09-22 — — WO disclosed
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