SCHEMBL16645813

SCHEMBL16645813

Cc1sc2nc(Cc3cccc(C(F)F)c3F)c(F)c(=O)n2c1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 14/20 0.41
GRIN2A Q12879 14/20 0.41
GRIA2 P42262 8/20 0.41
SOS1 Q07889 4/20 0.33
CMA1 P23946 1/20 0.30

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
SCHEMBL16645803 0.89 GRIN1 (0.46) GRIN1GRIN2AGRIA2SOS1
SCHEMBL17958254 0.87 GRIN1 (0.56) GRIN1GRIN2AGRIA2
SCHEMBL16645934 0.86 GRIN1 (0.42) GRIN1GRIN2AGRIA2
SCHEMBL16645938 0.84 GRIN1 (0.55) GRIN1GRIN2AGRIA2CMA1
SCHEMBL16645466 0.74 GRIN1 (0.61) GRIN1GRIN2AGRIA2
SCHEMBL16636415 0.74 GRIN1 (0.64) GRIN1GRIN2AGRIA2
SCHEMBL16645976 0.73 GRIN1 (0.45) GRIN1GRIN2AGRIA2CMA1
SCHEMBL16636982 0.73 GRIN1 (0.58) GRIN1GRIN2AGRIA2
SCHEMBL16645600 0.73 GRIN1 (0.62) GRIN1GRIN2AGRIA2
SCHEMBL16645945 0.72 GRIN1 (0.43) 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