SCHEMBL327798

SCHEMBL327798

Cc1ccc(S(=O)(=O)OC[C@H]2O[C@@H](c3ccncc3NCc3ccc(F)c(-c4c(F)cccc4F)n3)CC[C@@H]2O)cc1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PIM2 Q9P1W9 20/20 0.47
PIM3 Q86V86 6/20 0.41
PIM1 P11309 4/20 0.39

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
SCHEMBL319678 0.88 PIM2 (0.55) PIM2PIM3PIM1
SCHEMBL319025 0.79 PIM2 (0.58) PIM2PIM3PIM1
SCHEMBL319198 0.79 PIM2 (0.58) PIM2PIM3PIM1
SCHEMBL319022 0.78 PIM2 (0.48) PIM2PIM3PIM1
SCHEMBL319021 0.78 PIM2 (0.48) PIM2PIM3PIM1
SCHEMBL12503404 0.76 PIM2 (0.51) PIM2PIM3PIM1
SCHEMBL1910583 0.73 PIM2 (0.49) PIM2PIM3PIM1
SCHEMBL319445 0.73 PIM2 (0.51) PIM2PIM3PIM1
SCHEMBL1911159 0.71 PIM1 (0.64) PIM2PIM3PIM1
SCHEMBL18259238 0.66 PIM2 (0.74) PIM2PIM3PIM1

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-2590968-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS Novartis AG (CH) 2013-05-15 EP disclosed
WO-2012004217-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS NOVARTIS AG (CH) 2012-01-12 WO disclosed