SCHEMBL16645960

SCHEMBL16645960

C#CC1CC1c1csc2nc(Cn3nc(C(F)(F)F)cc3Cl)cc(=O)n12

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRIN2A Q12879 20/20 0.60
GRIN1 Q05586 18/20 0.60
GRIA2 P42262 13/20 0.60
GRIN2D O15399 2/20 0.60
GRIN2C Q14957 2/20 0.60

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
SCHEMBL17958161 0.91 GRIN2A (0.72) GRIN2AGRIN1GRIA2GRIN2DGRIN2C
SCHEMBL16645650 0.83 GRIN2A (0.84) GRIN2AGRIN1GRIA2GRIN2DGRIN2C
SCHEMBL16645955 0.81 GRIN2A (0.62) GRIN2AGRIN1GRIA2GRIN2DGRIN2C
SCHEMBL16645956 0.79 GRIN2A (0.60) GRIN2AGRIN1GRIA2GRIN2DGRIN2C
SCHEMBL16645666 0.78 GRIN2A (0.59) GRIN2AGRIN1GRIA2GRIN2DGRIN2C
SCHEMBL16645805 0.76 GRIN2A (0.87) GRIN2AGRIN1GRIA2GRIN2DGRIN2C
SCHEMBL20204336 0.76 GRIN2A (0.87) GRIN2AGRIN1GRIA2GRIN2DGRIN2C
SCHEMBL17958199 0.76 GRIN2A (0.68) GRIN2AGRIN1GRIA2GRIN2DGRIN2C
SCHEMBL16637541 0.75 GRIN2A (1.00) GRIN2AGRIN1GRIA2GRIN2DGRIN2C
SCHEMBL16645668 0.75 GRIN2A (1.00) 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