SCHEMBL13535985

SCHEMBL13535985

CCOc1cc(Nc2nc3c(-c4ccc(OC)cc4)cccn3n2)ccc1C(=O)NC1CC1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 18/20 0.58
▸ JAK1 P23458 4/20 0.54
▸ JAK3 P52333 13/20 0.53
▸ PTK2 Q05397 12/20 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
SCHEMBL13536007 0.92 JAK2 (0.54) JAK2JAK1JAK3PTK2
SCHEMBL13536016 0.91 JAK2 (0.59) JAK2JAK1JAK3PTK2
SCHEMBL13536158 0.89 JAK2 (0.52) JAK2JAK1JAK3PTK2
SCHEMBL13535979 0.89 JAK2 (0.64) JAK2JAK1JAK3PTK2
SCHEMBL3261143 0.89 JAK2 (0.61) JAK2JAK1JAK3PTK2
SCHEMBL13535729 0.88 JAK2 (0.60) JAK2JAK1JAK3PTK2
SCHEMBL13535676 0.87 JAK2 (0.50) JAK2JAK1JAK3PTK2
SCHEMBL13536005 0.86 JAK2 (0.49) JAK2JAK3PTK2
SCHEMBL13535788 0.84 JAK2 (0.75) JAK2JAK1JAK3PTK2
SCHEMBL13535750 0.83 JAK2 (0.66) JAK2JAK3PTK2

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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