SCHEMBL3262800

SCHEMBL3262800

CC(C)(C)OC(=O)N1CCN(c2cccc3nc(NC(=O)C4CC4)nn23)CC1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 15/20 0.54
JAK2 O60674 13/20 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
TYK2 P29597 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
SCHEMBL13535941 0.91 JAK1 (0.49) JAK1JAK2JAK3IKBKBRIPK2
SCHEMBL13535940 0.90 JAK1 (0.58) JAK1JAK2TYK2
SCHEMBL13536025 0.88 JAK2 (0.56) JAK1JAK2JAK3IKBKBRIPK2
SCHEMBL13535779 0.88 JAK1 (0.50) JAK1JAK2JAK3IKBKBRIPK2
SCHEMBL3594593 0.86 JAK2 (0.75) JAK1JAK2JAK3IKBKBRIPK2
SCHEMBL3262635 0.86 JAK1 (0.62) JAK1JAK2JAK3IKBKBRIPK2
SCHEMBL13535939 0.86 JAK1 (0.62) JAK1JAK2TYK2
SCHEMBL13536233 0.85 JAK2 (0.61) JAK1JAK2JAK3IKBKBRIPK2
SCHEMBL13535768 0.84 JAK1 (0.72) JAK1JAK2JAK3IKBKBRIPK2
SCHEMBL13535705 0.84 JAK1 (0.49) JAK1JAK2JAK3IKBKBRIPK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010010187-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2010-01-28 WO disclosed
WO-2010010187-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2010-01-28 WO disclosed