SCHEMBL7963261

SCHEMBL7963261

COc1ccc(-c2cccc3nc(Nc4ccc(C(=O)Nc5cccnc5)cc4)nn23)cc1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 9/20 0.71
JAK1 P23458 6/20 0.68
KMT2A Q03164 2/20 0.62
POLB P06746 1/20 0.62
JAK3 P52333 3/20 0.62
PTK2 Q05397 2/20 0.62
RAB9A P51151 1/20 0.62
BRAF P15056 1/20 0.54
IKBKB O14920 1/20 0.54
RIPK2 O43353 1/20 0.54
LCK P06239 1/20 0.54
TYK2 P29597 1/20 0.54
SYK P43405 1/20 0.54
GSK3B P49841 1/20 0.54
PTK2B Q14289 1/20 0.54
PKM P14618 1/20 0.53
TDP1 Q9NUW8 1/20 0.53

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
SCHEMBL7977862 0.88 JAK2 (0.73) JAK2JAK1JAK3PTK2IKBKB
SCHEMBL7977613 0.87 JAK2 (0.69) JAK2JAK1KMT2AJAK3PTK2
SCHEMBL7979476 0.86 JAK2 (0.67) JAK2JAK1POLBJAK3PTK2
SCHEMBL7964295 0.86 JAK1 (0.72) JAK2JAK1KMT2APOLBJAK3
SCHEMBL7964178 0.86 JAK2 (0.81) JAK2JAK1JAK3PTK2IKBKB
SCHEMBL7975642 0.85 JAK2 (0.68) JAK2JAK1JAK3PTK2IKBKB
SCHEMBL7977799 0.85 JAK2 (0.70) JAK2JAK1JAK3PTK2IKBKB
SCHEMBL2228200 0.85 JAK2 (0.69) JAK2JAK1JAK3PTK2IKBKB
SCHEMBL7963267 0.84 JAK2 (0.78) JAK2JAK1JAK3PTK2IKBKB
SCHEMBL7977771 0.83 JAK2 (0.84) 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