SCHEMBL13535997

SCHEMBL13535997

COc1cc(Nc2nc3c(-c4ccc(OCC#N)cc4)cccn3n2)ccc1C(=O)N1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 19/20 0.54
▸ JAK3 P52333 15/20 0.51
▸ PTK2 Q05397 15/20 0.51
▸ TTK P33981 1/20 0.47

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
SCHEMBL13536023 0.91 JAK2 (0.56) JAK2JAK3PTK2TTK
SCHEMBL13535590 0.87 JAK2 (0.59) JAK2JAK3PTK2
SCHEMBL13535740 0.86 JAK2 (0.54) JAK2JAK3PTK2
SCHEMBL13535676 0.84 JAK2 (0.50) JAK2JAK3PTK2
SCHEMBL13535584 0.77 JAK2 (0.69) JAK2JAK3PTK2
SCHEMBL13535999 0.77 JAK2 (0.62) JAK2JAK3PTK2
SCHEMBL13535620 0.77 JAK2 (0.74) JAK2JAK3PTK2
SCHEMBL13535609 0.76 JAK2 (0.67) JAK2JAK3PTK2
SCHEMBL13536147 0.76 JAK2 (0.61) JAK2JAK3PTK2
SCHEMBL13535750 0.75 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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