SCHEMBL13536085

SCHEMBL13536085

O=C(c1ccc(-c2cccn3nc(Nc4ccc(C(=O)N5CCOCC5)cc4)nc23)cc1)N1CCCC1

nearest known ligand 0.80

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 15/20 0.80
JAK3 P52333 10/20 0.60
PTK2 Q05397 8/20 0.60
JAK1 P23458 6/20 0.56
TTK P33981 1/20 0.54

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
SCHEMBL13535767 0.99 JAK2 (0.79) JAK2JAK3PTK2JAK1TTK
SCHEMBL13535790 0.98 JAK2 (0.80) JAK2JAK3PTK2JAK1TTK
SCHEMBL13535894 0.93 JAK2 (0.69) JAK2JAK3PTK2JAK1
SCHEMBL13535893 0.92 JAK2 (0.68) JAK2JAK3PTK2JAK1
SCHEMBL13535783 0.91 JAK2 (0.75) JAK2JAK3PTK2JAK1TTK
SCHEMBL13536018 0.90 JAK2 (0.77) JAK2JAK3PTK2JAK1TTK
SCHEMBL13535708 0.89 JAK2 (0.68) JAK2JAK3PTK2JAK1
SCHEMBL3222561 0.89 JAK2 (1.00) JAK2JAK3PTK2JAK1
SCHEMBL13535891 0.89 JAK2 (0.65) JAK2JAK3PTK2JAK1
SCHEMBL3220277 0.89 JAK2 (0.77) JAK2JAK3PTK2JAK1TTK

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