SCHEMBL13535789

SCHEMBL13535789

N#CC1CN(Cc2ccc(-c3cccn4nc(Nc5ccc(C(=O)NC6CC6)cc5)nc34)cc2)C1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 14/20 0.50
▸ JAK3 P52333 8/20 0.50
▸ PTK2 Q05397 8/20 0.50
▸ JAK1 P23458 11/20 0.49

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
SCHEMBL13536101 0.95 JAK2 (0.52) JAK2JAK3PTK2JAK1
SCHEMBL13535746 0.93 JAK2 (0.53) JAK2JAK3PTK2JAK1
SCHEMBL13536100 0.87 JAK2 (0.53) JAK2JAK3PTK2JAK1
SCHEMBL13536098 0.87 JAK2 (0.53) JAK2JAK3PTK2JAK1
SCHEMBL13535670 0.87 JAK2 (0.53) JAK2JAK3PTK2JAK1
SCHEMBL13535806 0.86 JAK2 (0.51) JAK2JAK3PTK2JAK1
SCHEMBL13536006 0.86 JAK2 (0.69) JAK2JAK3PTK2JAK1
SCHEMBL13536035 0.86 JAK2 (0.68) JAK2JAK3PTK2JAK1
SCHEMBL13536086 0.86 JAK2 (0.57) JAK2JAK3PTK2JAK1
SCHEMBL13536102 0.85 JAK2 (0.48) 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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