SCHEMBL1710440

SCHEMBL1710440

CC(C)(C)OC(=O)NC1CNCCC1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.37
BTK Q06187 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
EPHX2 P34913 1/20 0.34
CTSK P43235 2/20 0.33
KDM1A O60341 2/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
MAOB P27338 1/20 0.32
EPHX1 P07099 1/20 0.32
SSTR4 P31391 2/20 0.31
SSTR1 P30872 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL4126273 1.00 GAA (0.37) GAABTKHDAC4HDAC6EPHX2
SCHEMBL4126276 1.00 GAA (0.37) GAABTKHDAC4HDAC6EPHX2
SCHEMBL11978256 0.91 GAA (0.36) GAABTKHDAC4HDAC6EPHX2
SCHEMBL15414426 0.91 GAA (0.36) GAABTKHDAC4HDAC6EPHX2
SCHEMBL3882069 0.89 GAA (0.39) GAABTKHDAC4HDAC6EPHX2
SCHEMBL13631064 0.89 GAA (0.39) GAABTKHDAC4HDAC6EPHX2
SCHEMBL2691929 0.88 SSTR4 (0.35) SSTR4SSTR1
SCHEMBL2691333 0.88 SSTR4 (0.35) SSTR4SSTR1
SCHEMBL4444047 0.88 SSTR4 (0.35) SSTR4SSTR1
SCHEMBL25145140 0.83 BTK (0.38) GAABTKHDAC4HDAC6EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2344473-A1 HETEROCYCLIC PIM-KINASE INHIBITORS Novartis AG (CH) 2011-07-20 EP disclosed
EP-2342190-A1 BICYCLIC KINASE INHIBITORS Novartis AG (CH) 2011-07-13 EP disclosed
WO-2010026121-A1 BICYCLIC KINASE INHIBITORS NOVARTIS AG (CH) 2010-03-11 WO disclosed
WO-2010026122-A1 HETEROCYCLIC PIM-KINASE INHIBITORS NOVARTIS AG (CH) 2010-03-11 WO disclosed
EP-2132177-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE Novartis Ag (CH) 2009-12-16 EP disclosed
WO-2008106692-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-09-04 WO disclosed