SCHEMBL20403449

SCHEMBL20403449

Cc1sc2nc(CN)cc(=O)n2c1Br

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.41
GRIN1 Q05586 17/20 0.38
GRIN2A Q12879 17/20 0.38
GRIA2 P42262 11/20 0.38
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.36

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
SCHEMBL16636635 0.85 L3MBTL1 (0.53) PKMGRIN1GRIN2AGRIA2POLB
SCHEMBL16637185 0.85 PKM (0.39) PKMGRIN1GRIN2AGRIA2HTT
SCHEMBL16637002 0.82 GRIN2A (0.38) PKMGRIN1GRIN2AGRIA2
SCHEMBL16637218 0.80 KDM4E (0.49) PKMGRIN1GRIN2AGRIA2TDP1
SCHEMBL16636617 0.79 PKM (0.37) PKMGRIN1GRIN2AGRIA2POLB
SCHEMBL17975725 0.79 PKM (0.37) PKMGRIN1GRIN2AGRIA2POLB
SCHEMBL16637031 0.77 GRIN2A (0.52) PKMGRIN1GRIN2AGRIA2
SCHEMBL16637466 0.77 GRIN2A (0.45) PKMGRIN1GRIN2AGRIA2POLB
SCHEMBL16637258 0.76 GRIN2A (0.53) PKMGRIN1GRIN2AGRIA2
SCHEMBL16636630 0.75 GRIN2A (0.67) GRIN1GRIN2AGRIA2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3055315-B1 THIAZOLOPYRIMIDINONES AS MODULATORS OF NMDA RECEPTOR ACTIVITY HOFFMANN LA ROCHE (CH) 2018-07-25 EP disclosed