SCHEMBL13536166

SCHEMBL13536166

CCc1ccc(-c2cccn3nc(Nc4ccc(C(=O)NC5CCN(C)CC5)cc4)nc23)cc1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 15/20 0.65
JAK2 O60674 14/20 0.65
JAK3 P52333 5/20 0.55
PTK2 Q05397 5/20 0.55

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
SCHEMBL13536156 0.94 JAK1 (0.64) JAK1JAK2JAK3PTK2
SCHEMBL3223182 0.91 JAK1 (0.68) JAK1JAK2JAK3PTK2
SCHEMBL3232800 0.90 JAK2 (0.63) JAK1JAK2JAK3PTK2
SCHEMBL3219138 0.90 JAK1 (0.69) JAK1JAK2JAK3PTK2
SCHEMBL13536006 0.89 JAK2 (0.69) JAK1JAK2JAK3PTK2
SCHEMBL3212723 0.88 JAK2 (0.69) JAK1JAK2JAK3PTK2
SCHEMBL13536120 0.86 JAK2 (0.68) JAK1JAK2JAK3PTK2
SCHEMBL13535874 0.85 JAK2 (0.54) JAK1JAK2JAK3PTK2
SCHEMBL3221238 0.85 JAK1 (0.65) JAK1JAK2JAK3PTK2
SCHEMBL3210036 0.84 JAK1 (0.62) JAK1JAK2JAK3PTK2

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