SCHEMBL2224541

SCHEMBL2224541

[CH]1CCN(c2ccncn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SORD Q00796 2/20 0.53
GPR119 Q8TDV5 1/20 0.43
DRD4 P21917 1/20 0.42
AKT1 P31749 1/20 0.40
PARP1 P09874 3/20 0.39
ROCK1 Q13464 1/20 0.39
RIPK1 Q13546 1/20 0.39
RPS6KA5 O75582 1/20 0.38
GRM1 Q13255 1/20 0.37
LSS P48449 1/20 0.37
LRRK2 Q5S007 1/20 0.36
HSP90AA1 P07900 1/20 0.35
PLD1 Q13393 1/20 0.35

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
SCHEMBL207837 0.89 SORD (0.46) SORDGPR119DRD4AKT1PARP1
SCHEMBL9767811 0.87
SCHEMBL4453478 0.83 SORD (0.56) SORDGPR119DRD4AKT1PARP1
SCHEMBL30775404 0.83 SORD (0.56) SORDGPR119DRD4AKT1PARP1
SCHEMBL209844 0.82 SORD (0.54) SORDGPR119DRD4AKT1ROCK1
SCHEMBL209842 0.82 SORD (0.54) SORDGPR119DRD4AKT1ROCK1
SCHEMBL29611181 0.82 SORD (0.54) SORDGPR119DRD4AKT1ROCK1
SCHEMBL2103794 0.80 SORD (0.53) SORDGPR119DRD4AKT1PARP1
SCHEMBL30894880 0.79 SORD (0.49) SORDGPR119DRD4AKT1PARP1
SCHEMBL15863561 0.78 PLD1 (0.59) SORDDRD4PLD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2931707-A1 ENHANCER OF ZESTE HOMOLOG 2 INHIBITORS Glaxosmithkline LLC (US) 2015-10-21 EP disclosed
WO-2014107277-A1 ENHANCER OF ZESTE HOMOLOG 2 INHIBITORS GLAXOSMITHKLINE LLC (US) 2014-07-10 WO disclosed
WO-2011086053-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2011-07-21 WO disclosed