SCHEMBL16645753

SCHEMBL16645753

COc1sc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)cc(=O)n2c1C(N)=O

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRIN2A Q12879 19/20 0.65
GRIN1 Q05586 18/20 0.65
GRIA2 P42262 11/20 0.65
GRIN2D O15399 1/20 0.41
GRIN2C Q14957 1/20 0.41

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
SCHEMBL16645798 0.89 GRIN2A (0.78) GRIN2AGRIN1GRIA2GRIN2DGRIN2C
SCHEMBL17958269 0.88 GRIN1 (0.81) GRIN2AGRIN1GRIA2
SCHEMBL16645754 0.84 GRIN1 (0.53) GRIN2AGRIN1GRIA2GRIN2DGRIN2C
SCHEMBL16645788 0.82 GRIN1 (0.79) GRIN2AGRIN1GRIA2GRIN2DGRIN2C
SCHEMBL16645454 0.80 GRIN1 (0.84) GRIN2AGRIN1GRIA2
SCHEMBL16645511 0.80 GRIN2A (0.68) GRIN2AGRIN1GRIA2GRIN2DGRIN2C
SCHEMBL16636724 0.80 GRIN2A (0.71) GRIN2AGRIN1GRIA2GRIN2DGRIN2C
SCHEMBL18161045 0.79 GRIN2A (0.81) GRIN2AGRIN1GRIA2GRIN2DGRIN2C
SCHEMBL17958259 0.79 GRIN1 (1.00) GRIN2AGRIN1GRIA2
SCHEMBL16637759 0.79 GRIN1 (0.84) GRIN2AGRIN1GRIA2

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