SCHEMBL16645692

SCHEMBL16645692

C#Cc1cccc(Cc2cc(=O)n3c(CC(N)=O)c(C)sc3n2)c1F

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 20/20 0.56
GRIN2A Q12879 20/20 0.56
GRIA2 P42262 13/20 0.54

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
SCHEMBL16645947 0.89 GRIN1 (0.51) GRIN1GRIN2AGRIA2
SCHEMBL16645814 0.86 GRIN1 (0.67) GRIN1GRIN2AGRIA2
SCHEMBL16645485 0.85 GRIN1 (0.59) GRIN1GRIN2AGRIA2
SCHEMBL16645693 0.83 GRIN1 (0.66) GRIN1GRIN2AGRIA2
SCHEMBL17958171 0.81 GRIN1 (0.69) GRIN1GRIN2AGRIA2
SCHEMBL16645948 0.80 GRIN2A (0.68) GRIN1GRIN2AGRIA2
SCHEMBL17958230 0.79 GRIN1 (0.52) GRIN1GRIN2AGRIA2
SCHEMBL16645478 0.78 GRIN1 (0.77) GRIN1GRIN2AGRIA2
SCHEMBL17958235 0.76 GRIN1 (0.68) GRIN1GRIN2AGRIA2
SCHEMBL16637291 0.76 GRIN1 (0.70) GRIN1GRIN2AGRIA2

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