SCHEMBL24539231

SCHEMBL24539231

CCCCc1nc2cnc3sccc3c2n1Cc1ccc(CNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 19/20 0.50
TLR8 Q9NR97 3/20 0.46
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43

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
SCHEMBL24539889 0.88 TLR7 (0.54) TLR7TLR8PDE4APDE4BPDE4C
SCHEMBL29136618 0.86 TLR7 (0.60) TLR7TLR8
SCHEMBL30824675 0.86 TLR7 (0.60) TLR7TLR8
SCHEMBL24539536 0.85 TLR7 (0.67) TLR7TLR8
SCHEMBL30876982 0.85 TLR7 (0.67) TLR7TLR8
SCHEMBL31581270 0.82 TLR7 (0.55) TLR7TLR8
SCHEMBL24539589 0.81 TLR7 (0.48) TLR7TLR8
SCHEMBL24539698 0.81 TLR7 (0.47) TLR7TLR8
SCHEMBL27197276 0.80 TLR7 (0.51) TLR7TLR8PDE4APDE4BPDE4C
SCHEMBL24539616 0.79 TLR7 (0.73) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022126263-A1 IMIDAZOTHIENOPYRIDINE COMPOUNDS AND METHODS OF USE ZYMEWORKS INC. (CA) 2022-06-23 WO disclosed