SCHEMBL28563247

SCHEMBL28563247

CCCCCCCCCCCc1nccn1C(CCCCCC)c1nc(N)nc(N)n1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 4/20 0.37
TLR8 Q9NR97 3/20 0.35
ADA P00813 2/20 0.34
DHFR P00374 1/20 0.32
TSHR P16473 1/20 0.32
PI4KA P42356 1/20 0.31
PI4K2B Q8TCG2 1/20 0.31
PI4K2A Q9BTU6 1/20 0.31
PI4KB Q9UBF8 1/20 0.31
SPNS2 Q8IVW8 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
SCHEMBL28564247 1.00 TLR7 (0.37) TLR7TLR8ADADHFRTSHR
SCHEMBL28569872 1.00 TLR7 (0.37) TLR7TLR8ADADHFRTSHR
SCHEMBL28564256 1.00 TLR7 (0.37) TLR7TLR8ADADHFRTSHR
SCHEMBL28560953 0.97 TLR7 (0.37) TLR7TLR8ADADHFRTSHR
SCHEMBL28566394 0.97 TLR7 (0.37) TLR7TLR8ADADHFRTSHR
SCHEMBL28575207 0.95 TLR7 (0.37) TLR7TLR8ADADHFRTSHR
SCHEMBL28569880 0.95 TLR7 (0.37) TLR7TLR8ADADHFRTSHR
SCHEMBL28580546 0.91 TLR7 (0.38) TLR7TLR8ADADHFRTSHR
SCHEMBL28577392 0.91 TLR7 (0.38) TLR7TLR8ADADHFRTSHR
SCHEMBL5091224 0.85 TLR7 (0.39) TLR7TLR8ADADHFRTSHR

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
CN-112724596-A Curable composition and cured product 盛势达技研株式会社 2021-04-30 CN disclosed