SCHEMBL1710253

SCHEMBL1710253

O=C(O)N(c1ccncc1[N+](=O)[O-])[C@H]1CNCC[C@@H]1F

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
RPS6KA3 P51812 1/20 0.33
ALDH1A1 P00352 2/20 0.32
NAMPT P43490 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
CHRM1 P11229 1/20 0.31
HTT P42858 2/20 0.31
RAB9A P51151 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL4436107 1.00 MEN1 (0.35) MEN1KMT2ARPS6KA3ALDH1A1NAMPT
SCHEMBL3233538 1.00 MEN1 (0.35) MEN1KMT2ARPS6KA3ALDH1A1NAMPT
SCHEMBL1710266 0.86 SSTR4 (0.32) MEN1KMT2ARPS6KA3
SCHEMBL1710382 0.86 SSTR4 (0.32) MEN1KMT2ARPS6KA3
SCHEMBL3406173 0.82 KDM4E (0.38) MEN1KMT2ARPS6KA3ALDH1A1SLC6A2
SCHEMBL3415524 0.82 KDM4E (0.38) MEN1KMT2ARPS6KA3ALDH1A1SLC6A2
SCHEMBL3406178 0.82 KDM4E (0.38) MEN1KMT2ARPS6KA3ALDH1A1SLC6A2
SCHEMBL3408546 0.81 MEN1 (0.39) MEN1KMT2A
SCHEMBL3232619 0.80 MEN1 (0.30) MEN1KMT2A
SCHEMBL3414755 0.80 MEN1 (0.30) MEN1KMT2A

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-2262802-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE Novartis AG (CH) 2010-12-22 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-2009109576-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2009-09-11 WO disclosed
WO-2008106692-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-09-04 WO disclosed