SCHEMBL7974592

SCHEMBL7974592

COc1ccc(-c2cccc3nc(Nc4cccc(C(=O)NCCNC(C)=O)c4)nn23)cc1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 7/20 0.65
JAK2 O60674 11/20 0.62
JAK3 P52333 6/20 0.56
PTK2 Q05397 5/20 0.56
TYK2 P29597 2/20 0.51
IKBKB O14920 1/20 0.51
RIPK2 O43353 1/20 0.51
LCK P06239 1/20 0.51
SYK P43405 1/20 0.51
GSK3B P49841 1/20 0.51
PTK2B Q14289 1/20 0.51
ABL1 P00519 1/20 0.44
BCR P11274 1/20 0.44

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
SCHEMBL13073249 0.92 JAK2 (0.63) JAK1JAK2JAK3PTK2TYK2
SCHEMBL13882579 0.90 JAK2 (0.60) JAK1JAK2JAK3PTK2TYK2
SCHEMBL13073377 0.87 JAK2 (0.71) JAK1JAK2JAK3PTK2TYK2
SCHEMBL7977793 0.85 JAK2 (0.81) JAK1JAK2JAK3PTK2TYK2
SCHEMBL3657648 0.85 JAK2 (0.71) JAK1JAK2JAK3PTK2TYK2
SCHEMBL7977609 0.84 JAK2 (0.70) JAK1JAK2JAK3PTK2TYK2
SCHEMBL7976772 0.83 JAK1 (0.84) JAK1JAK2JAK3PTK2TYK2
SCHEMBL7974770 0.81 JAK2 (0.71) JAK1JAK2JAK3PTK2TYK2
SCHEMBL7975497 0.81 JAK1 (0.61) JAK1JAK2JAK3PTK2TYK2
SCHEMBL7974585 0.80 JAK2 (0.62) JAK1JAK2JAK3PTK2TYK2

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