SCHEMBL7964532

SCHEMBL7964532

COc1ccc(-c2cccc3nc(Nc4ccc(C(=O)NCc5cc(C)nn5C)cc4)nn23)cc1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 14/20 0.65
JAK1 P23458 7/20 0.60
JAK3 P52333 7/20 0.56
PTK2 Q05397 5/20 0.56
IKBKB O14920 1/20 0.47
RIPK2 O43353 1/20 0.47
LCK P06239 1/20 0.47
TYK2 P29597 1/20 0.47
SYK P43405 1/20 0.47
GSK3B P49841 1/20 0.47
PTK2B Q14289 1/20 0.47

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
SCHEMBL7978039 0.85 JAK2 (0.65) JAK2JAK1JAK3PTK2IKBKB
SCHEMBL7973589 0.85 JAK2 (0.74) JAK2JAK1JAK3PTK2IKBKB
SCHEMBL13536506 0.83 JAK2 (0.71) JAK2JAK1JAK3PTK2IKBKB
SCHEMBL7977754 0.82 JAK2 (0.72) JAK2JAK1JAK3PTK2IKBKB
SCHEMBL7979476 0.82 JAK2 (0.67) JAK2JAK1JAK3PTK2TYK2
SCHEMBL7979478 0.82 JAK2 (0.67) JAK2JAK1JAK3PTK2IKBKB
SCHEMBL7964178 0.81 JAK2 (0.81) JAK2JAK1JAK3PTK2IKBKB
SCHEMBL7974770 0.81 JAK2 (0.71) JAK2JAK1JAK3PTK2IKBKB
SCHEMBL7974882 0.80 JAK2 (0.70) JAK2JAK1JAK3PTK2IKBKB
SCHEMBL7976762 0.80 JAK2 (0.67) 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