SCHEMBL7973589

SCHEMBL7973589

COc1ccc(-c2cccc3nc(Nc4ccc(C(=O)NCc5ccccc5)cc4)nn23)cc1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 12/20 0.74
JAK1 P23458 5/20 0.66
JAK3 P52333 6/20 0.62
PTK2 Q05397 4/20 0.62
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
TP53 P04637 1/20 0.52
IKBKB O14920 1/20 0.52
RIPK2 O43353 1/20 0.52
LCK P06239 1/20 0.52
TYK2 P29597 1/20 0.52
SYK P43405 1/20 0.52
GSK3B P49841 1/20 0.52
PTK2B Q14289 1/20 0.52

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
SCHEMBL13536506 0.96 JAK2 (0.71) JAK2JAK1JAK3PTK2NPC1
SCHEMBL7979476 0.91 JAK2 (0.67) JAK2JAK1JAK3PTK2TYK2
SCHEMBL13536706 0.91 JAK2 (0.64) JAK2JAK1JAK3PTK2TP53
SCHEMBL13536674 0.91 JAK2 (0.71) JAK2JAK1JAK3PTK2TYK2
SCHEMBL7979478 0.88 JAK2 (0.67) JAK2JAK1JAK3PTK2NPC1
SCHEMBL7977754 0.86 JAK2 (0.72) JAK2JAK1JAK3PTK2IKBKB
SCHEMBL7964178 0.86 JAK2 (0.81) JAK2JAK1JAK3PTK2IKBKB
SCHEMBL3213555 0.85 JAK2 (1.00) JAK2JAK1JAK3PTK2IKBKB
SCHEMBL7974770 0.85 JAK2 (0.71) JAK2JAK1JAK3PTK2IKBKB
SCHEMBL13536667 0.85 JAK2 (0.64) 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