SCHEMBL26100478

SCHEMBL26100478

CCCc1nc2c(NC(=O)O)nc3ccccc3c2s1

nearest known ligand 0.83

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 17/20 0.83
TLR7 Q9NYK1 12/20 0.72
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ADORA3 P0DMS8 1/20 0.42

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
SCHEMBL4540446 0.87 TLR8 (0.88) TLR8TLR7ADORA3
SCHEMBL24052769 0.87 TLR8 (0.88) TLR8TLR7
SCHEMBL24052759 0.86 TLR8 (0.86) TLR8TLR7
SCHEMBL24052314 0.85 TLR8 (0.73) TLR8TLR7MAPTNPSR1ADORA3
SCHEMBL4540442 0.83 TLR8 (0.74) TLR8TLR7ADORA3
SCHEMBL25627724 0.81 TLR8 (0.78) TLR8TLR7
SCHEMBL25628534 0.81 TLR8 (0.69) TLR8TLR7MAPTNPSR1ADORA3
SCHEMBL25627708 0.81 TLR8 (0.69) TLR8TLR7MAPTNPSR1ADORA3
SCHEMBL24052764 0.80 TLR8 (0.72) TLR8TLR7MAPTNPSR1
SCHEMBL5767925 0.80 TLR8 (0.71) TLR8TLR7ADORA3

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-2023076848-A1 PYRIDAZINEDIONE-BASED HETEROBICYCLIC COVALENT LINKERS AND METHODS AND APPLICATIONS THEREOF SYNTABIO LLC (US) 2023-05-04 WO disclosed