SCHEMBL1710313

SCHEMBL1710313

CC(C)(C)OC(=O)NC1CNCCC1OS(C)(=O)=O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 1/20 0.35
▸ GAA P10253 2/20 0.35
▸ MAOB P27338 2/20 0.34
▸ MAOA P21397 1/20 0.34
▸ 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
▸ RORC P51449 2/20 0.32
▸ EPHX1 P07099 1/20 0.32
▸ SSTR1 P30872 1/20 0.31
▸ SSTR4 P31391 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
SCHEMBL14923686 0.90 BTK (0.35) BTKGAAMAOBMAOAEPHX2
SCHEMBL4690514 0.83 BTK (0.44) BTKGAAMAOBMAOACTSK
SCHEMBL1468748 0.83 BTK (0.38) BTKGAAMAOBEPHX2CTSK
SCHEMBL741204 0.83 BTK (0.41) BTKGAAMAOBMAOACTSK
SCHEMBL14259181 0.83 BTK (0.44) BTKGAAMAOBMAOACTSK
SCHEMBL25145140 0.83 BTK (0.38) BTKGAAMAOBEPHX2CTSK
SCHEMBL16095542 0.83 BTK (0.44) BTKGAAMAOBMAOACTSK
SCHEMBL18940559 0.83 BTK (0.38) BTKGAAMAOBEPHX2CTSK
SCHEMBL13624954 0.83 BTK (0.38) BTKGAAMAOBEPHX2CTSK
SCHEMBL5430323 0.83 BTK (0.44) BTKGAAMAOBMAOACTSK

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-2344473-A1 HETEROCYCLIC PIM-KINASE INHIBITORS Novartis AG (CH) 2011-07-20 — — EP 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
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