SCHEMBL13536097

SCHEMBL13536097

O=C(NC1CC1)c1ccc(Nc2nc3c(-c4ccc(CNCC5(O)CC5)cc4)cccn3n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 15/20 0.48
▸ JAK2 O60674 14/20 0.48
▸ JAK3 P52333 1/20 0.44
▸ PTK2 Q05397 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
SCHEMBL13536215 0.89 JAK2 (0.51) JAK1JAK2JAK3PTK2
SCHEMBL13535817 0.89 JAK2 (0.51) JAK1JAK2JAK3PTK2
SCHEMBL13536195 0.86 JAK2 (0.50) JAK1JAK2JAK3PTK2
SCHEMBL13535747 0.86 JAK2 (0.51) JAK1JAK2JAK3PTK2
SCHEMBL13535699 0.85 JAK2 (0.53) JAK1JAK2JAK3PTK2
SCHEMBL13535874 0.85 JAK2 (0.54) JAK1JAK2JAK3PTK2
SCHEMBL13536181 0.83 JAK1 (0.54) JAK1JAK2JAK3PTK2
SCHEMBL13535805 0.82 JAK1 (0.50) JAK1JAK2
SCHEMBL3262009 0.82 JAK2 (0.55) JAK1JAK2JAK3PTK2
SCHEMBL13535632 0.82 JAK2 (0.59) JAK1JAK2JAK3PTK2

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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