SCHEMBL13535724

SCHEMBL13535724

O=C(NC1CC1)c1ccc(Nc2nc3c(Br)cccn3n2)cc1F

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 7/20 0.46
▸ JAK2 O60674 8/20 0.45
▸ BRD4 O60885 8/20 0.45
▸ JAK1 P23458 5/20 0.44
▸ JAK3 P52333 3/20 0.44
▸ BRD2 P25440 2/20 0.44
▸ BRD3 Q15059 2/20 0.44
▸ BRDT Q58F21 2/20 0.44
▸ CDK1 P06493 2/20 0.43
▸ CDK2 P24941 2/20 0.43

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
SCHEMBL13535980 0.88 PTK2 (0.46) PTK2JAK2JAK1JAK3
SCHEMBL3261610 0.83 JAK1 (0.53) PTK2JAK2JAK1JAK3
SCHEMBL13535729 0.82 JAK2 (0.60) PTK2JAK2JAK1JAK3
SCHEMBL13536043 0.81 JAK2 (0.49) PTK2JAK2JAK1JAK3
SCHEMBL13536042 0.80 JAK2 (0.49) PTK2JAK2BRD4JAK1JAK3
SCHEMBL13535979 0.72 JAK2 (0.64) PTK2JAK2JAK1JAK3
SCHEMBL13535598 0.72 JAK2 (0.48) PTK2JAK2JAK1JAK3
SCHEMBL3261143 0.72 JAK2 (0.61) PTK2JAK2JAK1JAK3
SCHEMBL13536000 0.72 JAK2 (0.47) PTK2JAK2JAK1JAK3
SCHEMBL13535589 0.71 JAK2 (0.51) PTK2JAK2JAK3

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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