SCHEMBL13535530

SCHEMBL13535530

NCOc1ccc(-c2cccn3nc(NC(=O)C4CC4)nc23)cc1

nearest known ligand 0.82

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 13/20 0.82
JAK2 O60674 8/20 0.50
JAK3 P52333 3/20 0.44
TYK2 P29597 2/20 0.44
IKBKB O14920 1/20 0.44
RIPK2 O43353 1/20 0.44
LCK P06239 1/20 0.44
SYK P43405 1/20 0.44
GSK3B P49841 1/20 0.44
PTK2B Q14289 1/20 0.44
PTK2 Q05397 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
SCHEMBL13535388 0.90 JAK1 (1.00) JAK1JAK2JAK3TYK2IKBKB
SCHEMBL13535562 0.88 JAK1 (0.85) JAK1JAK2JAK3TYK2PTK2
SCHEMBL13535395 0.87 JAK1 (0.78) JAK1JAK2JAK3TYK2
SCHEMBL13535409 0.87 JAK1 (0.70) JAK1JAK2
SCHEMBL13535414 0.85 JAK1 (0.74) JAK1JAK2JAK3TYK2PTK2
SCHEMBL13535400 0.85 JAK1 (0.74) JAK1JAK2JAK3TYK2
SCHEMBL13535427 0.85 JAK1 (0.68) JAK1JAK2JAK3
SCHEMBL13535405 0.84 JAK1 (0.72) JAK1JAK2JAK3GSK3BPTK2
SCHEMBL13535534 0.84 JAK1 (0.75) JAK1JAK2JAK3TYK2IKBKB
SCHEMBL13535695 0.84 JAK1 (0.74) JAK1JAK2JAK3TYK2IKBKB

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-2010010186-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2010-01-28 WO disclosed