SCHEMBL7977595

SCHEMBL7977595

COc1ccc(-c2cccc3nc(Nc4ccc(N5CCN(C)CC5)nc4)nn23)cc1

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 17/20 0.76
JAK1 P23458 5/20 0.59
JAK3 P52333 11/20 0.58
PTK2 Q05397 10/20 0.58
IKBKB O14920 1/20 0.50
RIPK2 O43353 1/20 0.50
LCK P06239 1/20 0.50
TYK2 P29597 1/20 0.50
SYK P43405 1/20 0.50
GSK3B P49841 1/20 0.50
PTK2B Q14289 1/20 0.50

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
SCHEMBL3208514 0.92 JAK2 (0.64) JAK2JAK1JAK3PTK2IKBKB
SCHEMBL7963973 0.90 JAK2 (0.64) JAK2JAK1JAK3PTK2IKBKB
SCHEMBL3200667 0.87 JAK2 (1.00) JAK2JAK1JAK3PTK2
SCHEMBL7977326 0.85 JAK2 (0.59) JAK2JAK1JAK3PTK2IKBKB
SCHEMBL13073248 0.82 JAK2 (0.67) JAK2JAK1JAK3PTK2IKBKB
SCHEMBL3659300 0.81 JAK2 (0.66) JAK2JAK1JAK3PTK2IKBKB
SCHEMBL3205680 0.80 JAK2 (0.78) JAK2JAK1JAK3PTK2
SCHEMBL7977778 0.80 JAK2 (0.64) JAK2JAK1JAK3PTK2IKBKB
SCHEMBL13449505 0.80 JAK2 (0.64) JAK2JAK1JAK3PTK2IKBKB
SCHEMBL7973523 0.80 JAK2 (0.73) JAK2JAK1JAK3PTK2IKBKB

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