SCHEMBL16645754

SCHEMBL16645754

COc1sc2nc(Cn3nc(C4CC4)cc3C(F)(F)F)cc(=O)n2c1C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 20/20 0.53
GRIN2A Q12879 20/20 0.53
GRIA2 P42262 9/20 0.46
GRIN2D O15399 1/20 0.35
GRIN2C Q14957 1/20 0.35

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
SCHEMBL16645741 0.89 GRIN1 (0.57) GRIN1GRIN2AGRIA2
SCHEMBL17958114 0.88 GRIN1 (0.67) GRIN1GRIN2AGRIA2
SCHEMBL16645937 0.88 GRIN2A (0.54) GRIN1GRIN2AGRIA2GRIN2DGRIN2C
SCHEMBL16645753 0.84 GRIN2A (0.65) GRIN1GRIN2AGRIA2GRIN2DGRIN2C
SCHEMBL17958105 0.82 GRIN1 (0.58) GRIN1GRIN2AGRIA2
SCHEMBL16637070 0.80 GRIN1 (0.61) GRIN1GRIN2AGRIA2
SCHEMBL16636586 0.80 GRIN2A (0.58) GRIN1GRIN2AGRIA2GRIN2DGRIN2C
SCHEMBL18160940 0.79 GRIN1 (0.79) GRIN1GRIN2AGRIA2GRIN2DGRIN2C
SCHEMBL16638013 0.79 GRIN1 (0.70) GRIN1GRIN2AGRIA2
SCHEMBL16645457 0.79 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