SCHEMBL13535686

SCHEMBL13535686

CC(O)c1ccc(Nc2nc3c(-c4ccc(CN5CCOCC5)c(F)c4)cccn3n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 18/20 0.56
▸ JAK3 P52333 18/20 0.56
▸ PTK2 Q05397 17/20 0.56
▸ JAK1 P23458 1/20 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
SCHEMBL13536106 0.91 JAK2 (0.54) JAK2JAK3PTK2JAK1
SCHEMBL13535628 0.88 JAK2 (0.58) JAK2JAK3PTK2JAK1
SCHEMBL13535662 0.87 JAK2 (0.73) JAK2JAK3PTK2JAK1
SCHEMBL13535986 0.86 JAK2 (0.56) JAK2JAK3PTK2JAK1
SCHEMBL13535594 0.86 JAK2 (0.77) JAK2JAK3PTK2JAK1
SCHEMBL13535655 0.83 JAK2 (0.55) JAK2JAK3PTK2JAK1
SCHEMBL13535920 0.82 JAK2 (0.52) JAK2JAK3PTK2JAK1
SCHEMBL13536175 0.82 JAK2 (0.49) JAK2JAK3PTK2JAK1
SCHEMBL13536189 0.80 JAK2 (0.52) JAK2JAK3PTK2JAK1
SCHEMBL13536170 0.78 JAK1 (0.52) 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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