SCHEMBL13536006

SCHEMBL13536006

CN1CCN(Cc2ccc(-c3cccn4nc(Nc5ccc(C(=O)NC6CC6)cc5)nc34)cc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 16/20 0.69
JAK3 P52333 9/20 0.69
PTK2 Q05397 9/20 0.69
JAK1 P23458 10/20 0.58
AXL P30530 1/20 0.52

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
SCHEMBL13536086 0.92 JAK2 (0.57) JAK2JAK3PTK2JAK1
SCHEMBL13536002 0.91 JAK2 (0.68) JAK2JAK3PTK2JAK1
SCHEMBL13535923 0.91 JAK2 (0.63) JAK2JAK3PTK2JAK1
SCHEMBL13535649 0.91 JAK2 (0.56) JAK2JAK3PTK2JAK1
SCHEMBL13535812 0.91 JAK2 (0.56) JAK2JAK3PTK2JAK1
SCHEMBL13536035 0.90 JAK2 (0.68) JAK2JAK3PTK2JAK1
SCHEMBL13535690 0.90 JAK2 (0.55) JAK2JAK3PTK2JAK1
SCHEMBL13535865 0.89 JAK2 (0.54) JAK2JAK3PTK2JAK1
SCHEMBL13536166 0.89 JAK1 (0.65) JAK2JAK3PTK2JAK1
SCHEMBL13535744 0.88 JAK2 (0.53) 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