SCHEMBL7974747

SCHEMBL7974747

COc1ccc(-c2cccc3nc(Nc4ccc(C(=O)NC5CCCCC5)cc4)nn23)cc1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 10/20 0.70
JAK1 P23458 10/20 0.66
JAK3 P52333 5/20 0.61
PTK2 Q05397 3/20 0.61
TYK2 P29597 2/20 0.58
IKBKB O14920 1/20 0.58
RIPK2 O43353 1/20 0.58
LCK P06239 1/20 0.58
SYK P43405 1/20 0.58
GSK3B P49841 1/20 0.58
PTK2B Q14289 1/20 0.58

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
SCHEMBL3213905 0.92 JAK2 (0.69) JAK2JAK1JAK3PTK2TYK2
SCHEMBL3215125 0.91 JAK2 (0.59) JAK2JAK1JAK3PTK2TYK2
SCHEMBL3193400 0.91 JAK1 (0.68) JAK2JAK1JAK3PTK2TYK2
SCHEMBL3201060 0.89 JAK2 (0.63) JAK2JAK1JAK3PTK2TYK2
SCHEMBL3200692 0.88 JAK1 (0.69) JAK2JAK1JAK3PTK2TYK2
SCHEMBL7963267 0.85 JAK2 (0.78) JAK2JAK1JAK3PTK2TYK2
SCHEMBL7964178 0.85 JAK2 (0.81) JAK2JAK1JAK3PTK2TYK2
SCHEMBL3217873 0.85 JAK2 (0.61) JAK2JAK1JAK3PTK2
SCHEMBL3200791 0.83 JAK2 (0.59) JAK2JAK1JAK3PTK2TYK2
SCHEMBL3209035 0.83 JAK1 (0.61) JAK2JAK1

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