SCHEMBL14722322

SCHEMBL14722322

COc1cn(-c2cc[c]cc2F)nc(-c2ccnn2-c2ccccc2)c1=O

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 19/20 0.79
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL519123 0.88 PDE10A (1.00) PDE10AALDH1A1
SCHEMBL16627456 0.84 PDE10A (0.80) PDE10AALDH1A1
SCHEMBL518973 0.83 PDE10A (0.79) PDE10AALDH1A1
SCHEMBL518905 0.83 PDE10A (0.79) PDE10AALDH1A1
SCHEMBL19789841 0.82 PDE10A (0.78) PDE10AALDH1A1
SCHEMBL30123639 0.82 PDE10A (0.79) PDE10AALDH1A1
SCHEMBL15005246 0.82 PDE10A (0.79) PDE10AALDH1A1
SCHEMBL519127 0.82 PDE10A (0.79) PDE10AALDH1A1
SCHEMBL18399520 0.82 PDE10A (0.80) PDE10AALDH1A1
SCHEMBL519305 0.81 PDE10A (0.76) PDE10A

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-3006031-A1 PYRIDAZINONE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2016-04-13 EP disclosed
EP-2393360-B1 PYRIDAZINONE COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2015-11-04 EP disclosed
EP-2748158-A1 RADIOLABELED COMPOUNDS AND THEIR USE AS RADIOTRACERS FOR QUANTITATIVE IMAGING OF PHOSPHODIESTERASE (PDE10A) IN MAMMALS Takeda Pharmaceutical Company Limited (JP) 2014-07-02 EP disclosed
WO-2013027845-A1 RADIOLABELED COMPOUNDS AND THEIR USE AS RADIOTRACERS FOR QUANTITATIVE IMAGING OF PHOSPHODIESTERASE (PDE10A) IN MAMMALS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-02-28 WO disclosed