SCHEMBL13536215

SCHEMBL13536215

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

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 17/20 0.51
▸ JAK1 P23458 10/20 0.51
▸ JAK3 P52333 5/20 0.48
▸ PTK2 Q05397 4/20 0.48

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
SCHEMBL13535817 0.92 JAK2 (0.51) JAK2JAK1JAK3PTK2
SCHEMBL13536195 0.91 JAK2 (0.50) JAK2JAK1JAK3PTK2
SCHEMBL13535699 0.90 JAK2 (0.53) JAK2JAK1JAK3PTK2
SCHEMBL13536097 0.89 JAK1 (0.48) JAK2JAK1JAK3PTK2
SCHEMBL13535747 0.89 JAK2 (0.51) JAK2JAK1JAK3PTK2
SCHEMBL13535874 0.89 JAK2 (0.54) JAK2JAK1JAK3PTK2
SCHEMBL13535805 0.86 JAK1 (0.50) JAK2JAK1
SCHEMBL3262009 0.86 JAK2 (0.55) JAK2JAK1JAK3PTK2
SCHEMBL13535632 0.86 JAK2 (0.59) JAK2JAK1JAK3PTK2
SCHEMBL13535683 0.85 JAK2 (0.52) JAK2JAK1JAK3PTK2

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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