SCHEMBL2145162

SCHEMBL2145162

CC1(C)C(=O)Nc2cc(Nc3nc4cccc(CCC5CCOCC5)n4n3)ccc21

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 14/20 0.40
JAK1 P23458 9/20 0.40
TBK1 Q9UHD2 1/20 0.36
JAK3 P52333 7/20 0.35
PTK2 Q05397 7/20 0.35
SYK P43405 3/20 0.35
SRC P12931 1/20 0.35
GSK3A P49840 1/20 0.35
MAPK14 Q16539 1/20 0.35

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
SCHEMBL2144254 0.92 JAK2 (0.41) JAK2JAK1TBK1JAK3PTK2
SCHEMBL3304644 0.89 JAK2 (0.43) JAK2JAK1TBK1JAK3PTK2
SCHEMBL2144919 0.89 JAK2 (0.43) JAK2JAK1TBK1JAK3PTK2
SCHEMBL3297815 0.89 JAK2 (0.43) JAK2JAK1TBK1JAK3PTK2
SCHEMBL2144106 0.83 JAK2 (0.42) JAK2JAK1TBK1JAK3PTK2
SCHEMBL2144789 0.82 JAK2 (0.39) JAK2JAK1TBK1JAK3PTK2
SCHEMBL3303623 0.82 JAK2 (0.38) JAK2JAK1TBK1JAK3PTK2
SCHEMBL3304865 0.82 SYK (0.37) JAK2JAK1TBK1JAK3PTK2
SCHEMBL2144531 0.82 JAK2 (0.40) JAK2JAK1TBK1JAK3PTK2
SCHEMBL3303893 0.82 JAK2 (0.40) JAK2JAK1TBK1JAK3PTK2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2344494-A1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS Signal Pharmaceuticals, LLC (US) 2011-07-20 EP claimed
WO-2010027500-A1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2010-03-11 WO claimed
EP-2344494-A1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS Signal Pharmaceuticals, LLC (US) 2011-07-20 EP disclosed
WO-2010027500-A1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2010-03-11 WO disclosed