SCHEMBL13536120

SCHEMBL13536120

CN1CCN(c2ccc(-c3cccn4nc(Nc5ccc(C(=O)NC6CC6)cc5)nc34)cc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 18/20 0.68
PTK2 Q05397 16/20 0.68
JAK3 P52333 16/20 0.68
JAK1 P23458 2/20 0.67
BRD4 O60885 2/20 0.58

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
SCHEMBL13536207 0.89 JAK2 (0.56) JAK2PTK2JAK3JAK1BRD4
SCHEMBL3223182 0.88 JAK1 (0.68) JAK2PTK2JAK3JAK1
SCHEMBL13536006 0.88 JAK2 (0.69) JAK2PTK2JAK3JAK1
SCHEMBL13535667 0.88 JAK2 (0.63) JAK2PTK2JAK3JAK1
SCHEMBL3232800 0.87 JAK2 (0.63) JAK2PTK2JAK3JAK1
SCHEMBL3219138 0.87 JAK1 (0.69) JAK2PTK2JAK3JAK1
SCHEMBL13535632 0.87 JAK2 (0.59) JAK2PTK2JAK3JAK1
SCHEMBL13536166 0.86 JAK1 (0.65) JAK2PTK2JAK3JAK1
SCHEMBL3212723 0.86 JAK2 (0.69) JAK2PTK2JAK3JAK1
SCHEMBL13535870 0.85 JAK2 (0.57) 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