SCHEMBL29469293

SCHEMBL29469293

Cn1c(-c2cccc3nc(NC(=O)C4CC4)nn23)cc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 13/20 0.54
JAK2 O60674 12/20 0.52
TYK2 P29597 3/20 0.52
JAK3 P52333 2/20 0.52
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
SCHEMBL29469304 0.85 JAK1 (0.58) JAK1JAK2TYK2JAK3IKBKB
SCHEMBL29469323 0.84 TYK2 (0.58) JAK1JAK2TYK2JAK3IKBKB
SCHEMBL29469373 0.84 TYK2 (0.58) JAK1JAK2TYK2JAK3IKBKB
SCHEMBL13031373 0.82 JAK1 (0.71) JAK1JAK2TYK2JAK3IKBKB
SCHEMBL13031432 0.81 JAK2 (0.74) JAK1JAK2TYK2JAK3IKBKB
SCHEMBL29469325 0.80 JAK1 (0.54) JAK1JAK2TYK2JAK3IKBKB
SCHEMBL13031327 0.72 JAK3 (0.71) JAK1JAK2TYK2JAK3IKBKB
SCHEMBL13031358 0.72 JAK1 (0.78) JAK1JAK2TYK2JAK3IKBKB
SCHEMBL11916701 0.71 JAK1 (1.00) JAK1JAK2TYK2JAK3IKBKB
SCHEMBL13031280 0.71 JAK1 (0.77) JAK1JAK2TYK2JAK3IKBKB

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