SCHEMBL13536233

SCHEMBL13536233

O=C(Nc1nc2cccc(N3CCN(C(=O)Oc4ccccc4)CC3)n2n1)C1CC1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 15/20 0.61
JAK1 P23458 10/20 0.60
TYK2 P29597 3/20 0.54
JAK3 P52333 2/20 0.54
IKBKB O14920 1/20 0.54
RIPK2 O43353 1/20 0.54
LCK P06239 1/20 0.54
SYK P43405 1/20 0.54
GSK3B P49841 1/20 0.54
PTK2B Q14289 1/20 0.54

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
SCHEMBL3262800 0.85 JAK1 (0.54) JAK2JAK1TYK2JAK3IKBKB
SCHEMBL13536020 0.85 JAK2 (0.66) JAK2JAK1TYK2JAK3
SCHEMBL13535939 0.85 JAK1 (0.62) JAK2JAK1TYK2
SCHEMBL13536228 0.82 JAK1 (0.59) JAK2JAK1TYK2JAK3
SCHEMBL13535951 0.82 JAK2 (0.62) JAK2JAK1TYK2
SCHEMBL13535768 0.81 JAK1 (0.72) JAK2JAK1TYK2JAK3IKBKB
SCHEMBL3264584 0.81 JAK1 (0.63) JAK2JAK1TYK2JAK3IKBKB
SCHEMBL13536025 0.81 JAK2 (0.56) JAK2JAK1TYK2JAK3IKBKB
SCHEMBL13536135 0.81 JAK2 (0.58) JAK2JAK1TYK2JAK3IKBKB
SCHEMBL13536200 0.81 JAK1 (0.58) JAK2JAK1TYK2JAK3IKBKB

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