SCHEMBL16645492

SCHEMBL16645492

CCN(Cc1cc(=O)n2c(C(N)=O)c(C(F)(F)F)sc2n1)c1ccc(F)cn1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRIN2A Q12879 20/20 0.65
GRIN1 Q05586 19/20 0.65
GRIA2 P42262 16/20 0.52

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
SCHEMBL17958258 0.89 GRIN1 (0.80) GRIN2AGRIN1GRIA2
SCHEMBL16645618 0.88 GRIN2A (0.67) GRIN2AGRIN1GRIA2
SCHEMBL16645683 0.79 GRIN1 (0.65) GRIN2AGRIN1GRIA2
SCHEMBL16645950 0.79 GRIN1 (1.00) GRIN2AGRIN1GRIA2
SCHEMBL16645822 0.77 GRIN1 (0.63) GRIN2AGRIN1GRIA2
SCHEMBL17958212 0.77 GRIN2A (0.79) GRIN2AGRIN1GRIA2
SCHEMBL16645622 0.76 GRIN2A (0.83) GRIN2AGRIN1GRIA2
SCHEMBL17975721 0.73 GRIN2A (0.80) GRIN2AGRIN1GRIA2
SCHEMBL16645845 0.73 GRIN2A (0.80) GRIN2AGRIN1GRIA2
SCHEMBL17958274 0.71 GRIN1 (0.56) 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