SCHEMBL29469373

SCHEMBL29469373

Cn1c(-c2cccc3nc(NC(=O)C4CC4)nn23)cc2cc(S(C)(=O)=O)ccc21

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 4/20 0.58
JAK1 P23458 14/20 0.55
JAK2 O60674 10/20 0.54
JAK3 P52333 2/20 0.54
IKBKB O14920 1/20 0.52
RIPK2 O43353 1/20 0.52
LCK P06239 1/20 0.52
SYK P43405 1/20 0.52
GSK3B P49841 1/20 0.52
PTK2B Q14289 1/20 0.52

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
SCHEMBL29469323 1.00 TYK2 (0.58) TYK2JAK1JAK2JAK3IKBKB
SCHEMBL29469304 0.86 JAK1 (0.58) TYK2JAK1JAK2JAK3IKBKB
SCHEMBL29469293 0.84 JAK1 (0.54) TYK2JAK1JAK2JAK3IKBKB
SCHEMBL13031229 0.82 TYK2 (0.76) TYK2JAK1JAK2JAK3IKBKB
SCHEMBL42847 0.82 JAK1 (0.59) TYK2JAK1JAK2JAK3IKBKB
SCHEMBL29469335 0.81 TYK2 (0.55) TYK2JAK1JAK2JAK3IKBKB
SCHEMBL29469348 0.74 TYK2 (0.49) TYK2JAK1JAK2JAK3IKBKB
SCHEMBL2239774 0.74 TYK2 (1.00) TYK2JAK1JAK2JAK3IKBKB
SCHEMBL13031327 0.73 JAK3 (0.71) TYK2JAK1JAK2JAK3IKBKB
SCHEMBL13031180 0.73 JAK1 (0.68) TYK2JAK1JAK2JAK3IKBKB

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-114075189-A Five-membered heterocyclic acene ring compound and preparation method and medical application thereof 南京柯菲平盛辉制药有限公司 2022-02-22 CN disclosed