SCHEMBL2145005

SCHEMBL2145005

FC(F)(F)c1ccc(Nc2nc3cccc(CN4CCNC4)n3n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 14/20 0.47
PTK2 Q05397 12/20 0.47
JAK3 P52333 11/20 0.47
IDH2 P48735 1/20 0.41
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
JAK1 P23458 1/20 0.37
IKBKB O14920 1/20 0.36
CHUK O15111 1/20 0.36
CHRM3 P20309 1/20 0.36
APP P05067 1/20 0.36

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
SCHEMBL2145026 0.94 PTK2 (0.48) JAK2PTK2JAK3IDH2CTSS
SCHEMBL2145387 0.90 PTK2 (0.46) JAK2PTK2JAK3IDH2CTSS
SCHEMBL2144840 0.87 JAK2 (0.46) JAK2PTK2JAK3CTSSCTSK
SCHEMBL2144584 0.86 JAK2 (0.46) JAK2PTK2JAK3JAK1
SCHEMBL2144500 0.85 JAK2 (0.46) JAK2PTK2JAK3IDH2JAK1
SCHEMBL3300834 0.85 JAK2 (0.42) JAK2PTK2JAK3CTSSCTSK
SCHEMBL3302340 0.84 JAK2 (0.42) JAK2PTK2JAK3CTSSCTSK
SCHEMBL2144682 0.84 JAK2 (0.43) JAK2PTK2JAK3CTSSCTSK
SCHEMBL2143973 0.84 JAK2 (0.51) JAK2PTK2JAK3JAK1
SCHEMBL2144031 0.82 JAK2 (0.44) JAK2PTK2JAK3IDH2JAK1

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
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