SCHEMBL3263162

SCHEMBL3263162

CC(=O)c1ccc(Nc2nc3c(Br)cccn3n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 17/20 0.53
JAK3 P52333 8/20 0.50
PTK2 Q05397 5/20 0.50
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PTGS2 P35354 1/20 0.44
JAK1 P23458 1/20 0.44

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
SCHEMBL13535843 0.88 JAK2 (0.62) JAK2JAK3PTK2NPC1RAB9A
SCHEMBL3262742 0.88 JAK2 (0.54) JAK2JAK3PTK2JAK1
SCHEMBL1691501 0.88 JAK2 (0.56) JAK2JAK3PTK2JAK1
SCHEMBL3259962 0.87 JAK2 (0.52) JAK2JAK3PTK2MAPTJAK1
SCHEMBL13535688 0.85 JAK2 (0.50) JAK2JAK3PTK2JAK1
SCHEMBL16554085 0.83 RAB9A (0.55) JAK2JAK3PTK2NPC1RAB9A
SCHEMBL3261610 0.81 JAK1 (0.53) JAK2JAK3PTK2JAK1
SCHEMBL13535582 0.80 JAK1 (0.50) JAK2JAK1
SCHEMBL3262458 0.80 JAK2 (0.51) JAK2JAK3PTK2
SCHEMBL13535593 0.80 JAK2 (0.77) JAK2JAK3PTK2JAK1

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 2 patents. 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
WO-2010010184-A1 [1, 2, 4] TRIAZOLO [1, 5-A] PYRIDINES AS JAK INHIBITORS GALAPAGOS NV (BE) 2010-01-28 WO disclosed