SCHEMBL12330972

SCHEMBL12330972

Cc1nc(Cl)nc(NCCCN2CCCC2)c1I

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 5/20 0.45
▸ TLR7 Q9NYK1 3/20 0.45
▸ PGK1 P00558 3/20 0.44
▸ ACHE P22303 2/20 0.41
▸ ACP1 P24666 1/20 0.39
▸ KMT5A Q9NQR1 2/20 0.39
▸ HRH3 Q9Y5N1 2/20 0.39
▸ PIM1 P11309 2/20 0.38

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
SCHEMBL12330665 0.86 TLR8 (0.47) TLR8TLR7PGK1ACHEACP1
SCHEMBL12330973 0.83 TLR7 (0.56) TLR8TLR7PGK1ACHEACP1
SCHEMBL12330986 0.77 ACHE (0.47) TLR8TLR7ACHEKMT5A
SCHEMBL12330658 0.75 TLR7 (0.48) TLR8TLR7PGK1KMT5A
SCHEMBL15584199 0.75 TLR8 (0.53) TLR8TLR7
SCHEMBL12655044 0.73 HRH3 (0.51) PGK1ACHEHRH3
SCHEMBL12655047 0.73 HRH3 (0.48) TLR8TLR7PGK1ACHEACP1
SCHEMBL12330863 0.73 TLR8 (0.36) TLR8TLR7PGK1
SCHEMBL12331709 0.73 TLR8 (0.36) TLR8TLR7PGK1ACHEACP1
SCHEMBL12654881 0.72 HRH3 (0.53) PGK1ACHEACP1HRH3

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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