SCHEMBL16645637

SCHEMBL16645637

C#Cc1c(C)sc2nc(Cn3nc(C(F)(F)F)cc3Cl)cc(=O)n12

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRIN2A Q12879 20/20 0.69
GRIN1 Q05586 19/20 0.69
GRIA2 P42262 11/20 0.67
GRIN2D O15399 1/20 0.56
GRIN2C Q14957 1/20 0.56

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
SCHEMBL17958166 0.90 GRIN2A (0.70) GRIN2AGRIN1GRIA2GRIN2DGRIN2C
SCHEMBL16645839 0.87 GRIN2A (0.75) GRIN2AGRIN1GRIA2GRIN2DGRIN2C
SCHEMBL16645760 0.86 GRIN2A (0.74) GRIN2AGRIN1GRIA2GRIN2DGRIN2C
SCHEMBL16645836 0.85 GRIN2A (0.72) GRIN2AGRIN1GRIA2GRIN2DGRIN2C
SCHEMBL16636658 0.83 GRIN2A (0.78) GRIN2AGRIN1GRIA2GRIN2DGRIN2C
SCHEMBL16645625 0.83 GRIN2A (0.70) GRIN2AGRIN1GRIA2GRIN2DGRIN2C
SCHEMBL16645650 0.83 GRIN2A (0.84) GRIN2AGRIN1GRIA2GRIN2DGRIN2C
SCHEMBL16645679 0.83 GRIN2A (0.68) GRIN2AGRIN1GRIA2GRIN2DGRIN2C
SCHEMBL16645633 0.82 GRIN2A (0.77) GRIN2AGRIN1GRIA2GRIN2DGRIN2C
SCHEMBL16645642 0.82 GRIN2A (0.80) GRIN2AGRIN1GRIA2GRIN2DGRIN2C

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
WO-2015052226-A1 THIAZOLOPYRIMIDINONES AS MODULATORS OF NMDA RECEPTOR ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2015-04-16 WO disclosed