SCHEMBL2145387

SCHEMBL2145387

FC(F)(F)c1ccc(Nc2nc3cccc(CN4CCCNCC4)n3n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 13/20 0.46
JAK2 O60674 13/20 0.46
JAK3 P52333 12/20 0.46
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
CXCR4 P61073 1/20 0.41
IDH2 P48735 1/20 0.39
IKBKB O14920 1/20 0.37
CHUK O15111 1/20 0.37
CHRM3 P20309 1/20 0.37
MCHR1 Q99705 1/20 0.37
JAK1 P23458 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 0.96 PTK2 (0.48) PTK2JAK2JAK3CTSSCTSK
SCHEMBL2144584 0.91 JAK2 (0.46) PTK2JAK2JAK3JAK1
SCHEMBL2145005 0.90 JAK2 (0.47) PTK2JAK2JAK3CTSSCTSK
SCHEMBL2144500 0.90 JAK2 (0.46) PTK2JAK2JAK3IDH2JAK1
SCHEMBL2144840 0.85 JAK2 (0.46) PTK2JAK2JAK3CTSSCTSK
SCHEMBL3300834 0.85 JAK2 (0.42) PTK2JAK2JAK3CTSSCTSK
SCHEMBL2143973 0.84 JAK2 (0.51) PTK2JAK2JAK3JAK1
SCHEMBL2145289 0.83 JAK2 (0.46) PTK2JAK2JAK3JAK1
SCHEMBL2144031 0.82 JAK2 (0.44) PTK2JAK2JAK3IDH2JAK1
SCHEMBL2144682 0.82 JAK2 (0.43) PTK2JAK2JAK3CTSSCTSK

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