SCHEMBL16645937

SCHEMBL16645937

NC(=O)c1c(C(F)(F)F)sc2nc(Cn3nc(C4CC4)cc3C(F)(F)F)cc(=O)n12

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRIN2A Q12879 20/20 0.54
GRIN1 Q05586 19/20 0.54
GRIA2 P42262 10/20 0.47
GRIN2D O15399 1/20 0.42
GRIN2C Q14957 1/20 0.42

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 0.90 GRIN1 (0.57) GRIN2AGRIN1GRIA2
SCHEMBL16636586 0.88 GRIN2A (0.58) GRIN2AGRIN1GRIA2GRIN2DGRIN2C
SCHEMBL16645754 0.88 GRIN1 (0.53) GRIN2AGRIN1GRIA2GRIN2DGRIN2C
SCHEMBL16645457 0.87 GRIN1 (0.70) GRIN2AGRIN1GRIA2
SCHEMBL16645644 0.85 GRIN2A (0.55) GRIN2AGRIN1GRIA2GRIN2DGRIN2C
SCHEMBL16645499 0.85 GRIN2A (0.47) GRIN2AGRIN1GRIA2GRIN2DGRIN2C
SCHEMBL17958105 0.83 GRIN1 (0.58) GRIN2AGRIN1GRIA2
SCHEMBL16645616 0.81 GRIN2A (0.53) GRIN2AGRIN1GRIA2GRIN2DGRIN2C
SCHEMBL16637070 0.81 GRIN1 (0.61) GRIN2AGRIN1GRIA2
SCHEMBL18160940 0.80 GRIN1 (0.79) 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