SCHEMBL7971660

SCHEMBL7971660

NCc1ccc(OCc2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 10/20 0.80
JAK3 P52333 5/20 0.80
TYK2 P29597 5/20 0.76
JAK1 P23458 10/20 0.75
IKBKB O14920 1/20 0.69
RIPK2 O43353 1/20 0.69
LCK P06239 1/20 0.69
SYK P43405 1/20 0.69
GSK3B P49841 1/20 0.69
PTK2B Q14289 1/20 0.69

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
SCHEMBL2235228 0.92 JAK2 (0.82) JAK2JAK3TYK2JAK1IKBKB
SCHEMBL2239713 0.92 JAK2 (0.82) JAK2JAK3TYK2JAK1
SCHEMBL2238480 0.91 JAK2 (0.80) JAK2JAK3TYK2JAK1
SCHEMBL2239783 0.89 JAK2 (1.00) JAK2JAK3TYK2JAK1IKBKB
SCHEMBL2237985 0.89 JAK2 (0.79) JAK2JAK3TYK2JAK1IKBKB
SCHEMBL2235843 0.88 TYK2 (0.81) JAK2JAK3TYK2JAK1IKBKB
SCHEMBL2186752 0.88 JAK1 (0.76) JAK2JAK3TYK2JAK1IKBKB
SCHEMBL2237545 0.87 JAK1 (0.79) JAK2JAK3TYK2JAK1IKBKB
SCHEMBL2238582 0.87 JAK2 (1.00) JAK2JAK3TYK2JAK1IKBKB
SCHEMBL2240663 0.86 TYK2 (1.00) JAK2JAK3TYK2JAK1

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-2010010190-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2010-01-28 WO disclosed