SCHEMBL3264584

SCHEMBL3264584

O=C(O)C1CCN(c2cccc3nc(NC(=O)C4CC4)nn23)CC1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 15/20 0.63
JAK2 O60674 11/20 0.60
IKBKB O14920 1/20 0.53
RIPK2 O43353 1/20 0.53
LCK P06239 1/20 0.53
TYK2 P29597 1/20 0.53
SYK P43405 1/20 0.53
GSK3B P49841 1/20 0.53
JAK3 P52333 1/20 0.53
PTK2B Q14289 1/20 0.53

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
SCHEMBL13535918 0.89 JAK2 (0.67) JAK1JAK2TYK2
SCHEMBL13535899 0.89 JAK1 (0.60) JAK1JAK2IKBKBRIPK2LCK
SCHEMBL13535616 0.89 JAK1 (0.60) JAK1JAK2IKBKBRIPK2LCK
SCHEMBL3265427 0.88 JAK1 (0.59) JAK1JAK2IKBKBRIPK2LCK
SCHEMBL13535929 0.87 JAK1 (0.75) JAK1JAK2TYK2JAK3
SCHEMBL13536084 0.87 JAK1 (0.60) JAK1JAK2TYK2
SCHEMBL13535791 0.87 JAK1 (0.57) JAK1JAK2IKBKBRIPK2LCK
SCHEMBL13535629 0.87 JAK2 (0.67) JAK1JAK2JAK3
SCHEMBL13535622 0.86 JAK1 (0.60) JAK1JAK2IKBKBRIPK2LCK
SCHEMBL13535768 0.86 JAK1 (0.72) JAK1JAK2IKBKBRIPK2LCK

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