SCHEMBL13535593

SCHEMBL13535593

CS(=O)(=O)c1ccc(Nc2nc3c(Br)cccn3n2)cc1

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 20/20 0.77
▸ JAK3 P52333 19/20 0.77
▸ PTK2 Q05397 15/20 0.77
▸ JAK1 P23458 1/20 0.59

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
SCHEMBL2634553 0.87 JAK2 (1.00) JAK2JAK3PTK2JAK1
SCHEMBL2634731 0.85 JAK2 (1.00) JAK2JAK3PTK2JAK1
SCHEMBL2634693 0.81 JAK2 (1.00) JAK2JAK3PTK2
SCHEMBL2640391 0.81 JAK2 (1.00) JAK2JAK3PTK2JAK1
SCHEMBL2634466 0.80 JAK2 (0.89) JAK2JAK3PTK2JAK1
SCHEMBL3262458 0.80 JAK2 (0.51) JAK2JAK3PTK2
SCHEMBL3263162 0.80 JAK2 (0.53) JAK2JAK3PTK2JAK1
SCHEMBL3261327 0.80 JAK2 (0.50) JAK2JAK3PTK2
SCHEMBL3259962 0.80 JAK2 (0.52) JAK2JAK3PTK2JAK1
SCHEMBL13535936 0.79 JAK2 (0.72) JAK2JAK3PTK2JAK1

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-2010010184-A1 [1, 2, 4] TRIAZOLO [1, 5-A] PYRIDINES AS JAK INHIBITORS GALAPAGOS NV (BE) 2010-01-28 — — WO disclosed
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