SCHEMBL7977778

SCHEMBL7977778

COc1ccc(-c2cccc3nc(Nc4ccc(C#N)nc4)nn23)cc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 13/20 0.64
JAK1 P23458 8/20 0.64
JAK3 P52333 8/20 0.63
PTK2 Q05397 5/20 0.63
TYK2 P29597 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
EGLN2 Q96KS0 1/20 0.47

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
SCHEMBL13073248 0.86 JAK2 (0.67) JAK2JAK1JAK3PTK2TYK2
SCHEMBL3659300 0.85 JAK2 (0.66) JAK2JAK1JAK3PTK2TYK2
SCHEMBL13449505 0.84 JAK2 (0.64) JAK2JAK1JAK3PTK2TYK2
SCHEMBL7974924 0.83 JAK2 (0.74) JAK2JAK1JAK3PTK2TYK2
SCHEMBL7977719 0.82 JAK2 (0.67) JAK2JAK1JAK3PTK2TYK2
SCHEMBL7977613 0.82 JAK2 (0.69) JAK2JAK1JAK3PTK2TYK2
SCHEMBL13072885 0.82 JAK2 (0.76) JAK2JAK1JAK3PTK2TYK2
SCHEMBL7975705 0.82 JAK2 (0.76) JAK2JAK1JAK3PTK2TYK2
SCHEMBL13033022 0.81 JAK2 (0.79) JAK2JAK1JAK3PTK2TYK2
SCHEMBL13072789 0.81 JAK2 (0.72) JAK2JAK1JAK3PTK2TYK2

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-2010010188-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES. GALAPAGOS NV (BE) 2010-01-28 WO disclosed