SCHEMBL13536031

SCHEMBL13536031

COc1cccc(-c2cccn3nc(Nc4ccc(NC(C)=O)cc4)nc23)c1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 17/20 0.65
JAK3 P52333 15/20 0.65
PTK2 Q05397 11/20 0.65
JAK1 P23458 1/20 0.52
MTNR1A P48039 1/20 0.51
MTNR1B P49286 1/20 0.51
PIK3CG P48736 1/20 0.51

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
SCHEMBL13535866 0.89 JAK2 (0.78) JAK2JAK3PTK2JAK1
SCHEMBL13535871 0.89 JAK2 (0.55) JAK2JAK3PTK2
SCHEMBL15459857 0.88 JAK2 (0.68) JAK2JAK3PTK2
SCHEMBL3215999 0.88 JAK2 (0.80) JAK2JAK3PTK2
SCHEMBL13577886 0.87 JAK2 (0.67) JAK2JAK3PTK2
SCHEMBL3229074 0.87 JAK2 (0.66) JAK2JAK3PTK2
SCHEMBL3227238 0.87 JAK2 (0.70) JAK2JAK3PTK2
SCHEMBL12077795 0.86 JAK2 (0.60) JAK2JAK3PTK2
SCHEMBL3224269 0.86 JAK2 (0.66) JAK2JAK3PTK2
SCHEMBL13535973 0.85 JAK2 (0.61) JAK2JAK3PTK2

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