SCHEMBL1710402

SCHEMBL1710402

COC1CNCC(N(C(=O)O)c2ccncc2N)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
GLA P06280 2/20 0.39
GAA P10253 2/20 0.39
MEN1 O00255 1/20 0.37
KDM6B O15054 1/20 0.37
KDM4A O75164 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4D Q6B0I6 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HPGD P15428 1/20 0.30
CASP1 P29466 1/20 0.30
HTT P42858 1/20 0.30
CASP7 P55210 1/20 0.30
NCOA1 Q15788 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL1710400 1.00 KDM4E (0.39) KDM4EALDH1A1GLAGAAMEN1
SCHEMBL3232441 0.89 KDM4E (0.35) KDM4EALDH1A1GLAGAAMEN1
SCHEMBL3232429 0.89 KDM4E (0.35) KDM4EALDH1A1GLAGAAMEN1
SCHEMBL3239889 0.85 KDM4E (0.33) KDM4EALDH1A1GLAGAAMEN1
SCHEMBL3239906 0.85 KDM4E (0.33) KDM4EALDH1A1GLAGAAMEN1
SCHEMBL3231822 0.85 KDM4E (0.39) KDM4EALDH1A1GLAGAAMEN1
SCHEMBL1710347 0.85 KDM4E (0.39) KDM4EALDH1A1GLAGAAMEN1
SCHEMBL1710274 0.83 GAA (0.33) ALDH1A1GAAMEN1MAPTKMT2A
SCHEMBL3414887 0.82 KDM4E (0.39) KDM4EALDH1A1GLAGAAMEN1
SCHEMBL3410722 0.82 KDM4E (0.39) KDM4EALDH1A1GLAGAAMEN1

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
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
WO-2009109576-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2009-09-11 WO disclosed