SCHEMBL13535596

SCHEMBL13535596

CC(=O)Nc1ccc(Nc2nc3c(-c4cn[nH]c4)cccn3n2)cc1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 20/20 0.73
JAK3 P52333 11/20 0.73
PTK2 Q05397 7/20 0.73

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
SCHEMBL1691050 0.87 JAK2 (0.74) JAK2JAK3PTK2
SCHEMBL12093507 0.87 JAK2 (0.71) JAK2JAK3PTK2
SCHEMBL2640508 0.84 JAK2 (1.00) JAK2JAK3PTK2
SCHEMBL13535711 0.84 JAK2 (0.56) JAK2JAK3PTK2
SCHEMBL13535866 0.82 JAK2 (0.78) JAK2JAK3PTK2
SCHEMBL13535867 0.82 JAK2 (0.61) JAK2JAK3PTK2
SCHEMBL13535868 0.82 JAK2 (0.63) JAK2JAK3PTK2
SCHEMBL13535611 0.81 JAK2 (0.62) JAK2JAK3PTK2
SCHEMBL13535857 0.81 JAK2 (0.63) JAK2JAK3PTK2
SCHEMBL13535601 0.81 JAK2 (0.57) 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