SCHEMBL7977614

SCHEMBL7977614

COc1ccc(-c2cccc3nc(Nc4ccc(-c5ccc(NC(C)=O)cc5)nc4)nn23)cc1

nearest known ligand 0.82

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 8/20 0.82
JAK2 O60674 11/20 0.64
JAK3 P52333 6/20 0.60
PTK2 Q05397 3/20 0.60
IKBKB O14920 1/20 0.55
RIPK2 O43353 1/20 0.55
LCK P06239 1/20 0.55
TYK2 P29597 1/20 0.55
SYK P43405 1/20 0.55
GSK3B P49841 1/20 0.55
PTK2B Q14289 1/20 0.55
EGLN2 Q96KS0 1/20 0.48
FYN P06241 1/20 0.46

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
SCHEMBL7980632 0.90 JAK1 (1.00) JAK1JAK2JAK3PTK2IKBKB
SCHEMBL7980038 0.86 JAK2 (0.60) JAK1JAK2JAK3PTK2IKBKB
SCHEMBL7976772 0.84 JAK1 (0.84) JAK1JAK2JAK3PTK2IKBKB
SCHEMBL2274423 0.84 JAK2 (0.60) JAK1JAK2JAK3PTK2IKBKB
SCHEMBL7977475 0.83 JAK2 (0.58) JAK1JAK2JAK3PTK2IKBKB
SCHEMBL13073248 0.82 JAK2 (0.67) JAK1JAK2JAK3PTK2IKBKB
SCHEMBL7974148 0.82 JAK2 (0.69) JAK1JAK2JAK3PTK2IKBKB
SCHEMBL7977719 0.82 JAK2 (0.67) JAK1JAK2JAK3PTK2IKBKB
SCHEMBL13031287 0.82 JAK1 (0.79) JAK1JAK2JAK3PTK2IKBKB
SCHEMBL7964295 0.81 JAK1 (0.72) JAK1JAK2JAK3PTK2IKBKB

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