SCHEMBL13535989

SCHEMBL13535989

COc1ccc(-c2cccn3nc(Nc4cccc(C(=O)NCCCN(C)C)c4)nc23)cc1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 14/20 0.59
▸ FYN P06241 1/20 0.55
▸ PTK2 Q05397 11/20 0.54
▸ JAK3 P52333 10/20 0.54
▸ SRC P12931 1/20 0.48
▸ JAK1 P23458 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
SCHEMBL13535990 0.85 JAK2 (0.58) JAK2PTK2JAK3SRCJAK1
SCHEMBL13535774 0.84 JAK2 (0.56) JAK2PTK2JAK3JAK1
SCHEMBL3231807 0.83 JAK2 (0.80) JAK2PTK2JAK3
SCHEMBL13536022 0.82 JAK2 (0.58) JAK2PTK2JAK3JAK1
SCHEMBL13535741 0.81 JAK2 (0.57) JAK2PTK2JAK3JAK1
SCHEMBL3230871 0.81 JAK2 (0.60) JAK2PTK2JAK3JAK1
SCHEMBL13535602 0.79 JAK2 (0.55) JAK2PTK2JAK3JAK1
SCHEMBL20941 0.78 FYN (0.51) JAK2FYNPTK2JAK3SRC
SCHEMBL1499415 0.78 FYN (0.62) FYNSRC
SCHEMBL13536161 0.77 JAK2 (0.66) JAK2PTK2JAK3JAK1

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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