SCHEMBL29638416

SCHEMBL29638416

COc1cc(-n2[nH]c(=O)c3cnc(Nc4cc(C)nc(C)n4)cc32)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 12/20 0.40
JAK1 P23458 1/20 0.33
KCNH2 Q12809 1/20 0.33
HTT P42858 1/20 0.33
SCN9A Q15858 2/20 0.33
PIK3C3 Q8NEB9 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ABCB1 P08183 1/20 0.32
ABCC1 P33527 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32

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
SCHEMBL24557269 1.00 TYK2 (0.40) TYK2JAK1KCNH2HTTSCN9A
SCHEMBL29638376 0.89 TYK2 (0.40) TYK2JAK1ALDH1A1
SCHEMBL27199230 0.89 TYK2 (0.40) TYK2JAK1ALDH1A1
SCHEMBL29638340 0.88 TYK2 (0.36) TYK2JAK1
SCHEMBL29638471 0.86 IDH1 (0.34) TYK2JAK1ALDH1A1
SCHEMBL24557320 0.85 PDE2A (0.36) TYK2PIK3C3
SCHEMBL29638430 0.85 PDE2A (0.36) TYK2PIK3C3
SCHEMBL29638448 0.85 JAK1 (0.41) TYK2JAK1HTTSCN9A
SCHEMBL29638329 0.84 FGFR4 (0.36) TYK2KCNH2ALDH1A1
SCHEMBL24557292 0.84 TYK2 (0.36) TYK2JAK1PIK3C3

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-2022136914-A1 TYK2 INHIBITORS AND USES THEREOF SUDO BIOSCIENCES LIMITED (GB) 2022-06-30 WO disclosed