SCHEMBL7963216

SCHEMBL7963216

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

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 9/20 0.68
JAK1 P23458 7/20 0.62
JAK3 P52333 4/20 0.59
PTK2 Q05397 3/20 0.59
FYN P06241 3/20 0.52
TYK2 P29597 2/20 0.49
IKBKB O14920 1/20 0.49
RIPK2 O43353 1/20 0.49
LCK P06239 1/20 0.49
SYK P43405 1/20 0.49
GSK3B P49841 1/20 0.49
PTK2B Q14289 1/20 0.49

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
SCHEMBL7974882 0.95 JAK2 (0.70) JAK2JAK1JAK3PTK2FYN
SCHEMBL7974770 0.90 JAK2 (0.71) JAK2JAK1JAK3PTK2TYK2
SCHEMBL3216073 0.86 JAK2 (0.58) JAK2JAK1JAK3PTK2FYN
SCHEMBL13882579 0.86 JAK2 (0.60) JAK2JAK1JAK3PTK2FYN
SCHEMBL3211135 0.85 JAK2 (0.55) JAK2JAK1JAK3PTK2FYN
SCHEMBL3214773 0.85 JAK2 (0.56) JAK2JAK1JAK3PTK2FYN
SCHEMBL7974593 0.84 JAK2 (0.63) JAK2JAK1JAK3PTK2TYK2
SCHEMBL7977754 0.84 JAK2 (0.72) JAK2JAK1JAK3PTK2TYK2
SCHEMBL3210381 0.84 FYN (0.54) JAK2JAK1JAK3PTK2FYN
SCHEMBL3210406 0.84 JAK2 (0.54) 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