SCHEMBL29109804

SCHEMBL29109804

CCCCc1nc2c(N)nnc(OC(C)C)c2n1Cc1ccc(CN2CCCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 20/20 0.52
TLR8 Q9NR97 5/20 0.46

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
SCHEMBL29840771 1.00 TLR7 (0.52) TLR7TLR8
SCHEMBL29109849 0.92 TLR7 (0.61) TLR7TLR8
SCHEMBL29109832 0.92 TLR7 (0.63) TLR7TLR8
SCHEMBL29840792 0.92 TLR7 (0.61) TLR7TLR8
SCHEMBL29840843 0.92 TLR7 (0.63) TLR7TLR8
SCHEMBL29109915 0.88 TLR7 (0.59) TLR7TLR8
SCHEMBL29840784 0.88 TLR7 (0.59) TLR7TLR8
SCHEMBL29109822 0.87 TLR7 (0.60) TLR7TLR8
SCHEMBL32675801 0.87 TLR7 (0.61) TLR7TLR8
SCHEMBL29840923 0.87 TLR7 (0.61) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117098761-A Imidazo [4,5-d ] pyridazine derivatives, preparation thereof and therapeutic use thereof 赛诺菲 2023-11-21 CN claimed
CN-117098761-A Imidazo [4,5-d ] pyridazine derivatives, preparation thereof and therapeutic use thereof 赛诺菲 2023-11-21 CN disclosed