SCHEMBL16645816

SCHEMBL16645816

O=c1cc(Cn2nc(C(F)(F)F)cc2Cl)nc2sc(C(F)(F)F)c(N3CC(O)C3)n12

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRIN2A Q12879 20/20 0.65
GRIN1 Q05586 18/20 0.65
GRIA2 P42262 12/20 0.65
GRIN2D O15399 2/20 0.61
GRIN2C Q14957 2/20 0.61

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
SCHEMBL16645654 0.93 GRIN2A (0.64) GRIN2AGRIN1GRIA2GRIN2DGRIN2C
SCHEMBL17958121 0.89 GRIN2A (0.60) GRIN2AGRIN1GRIA2GRIN2DGRIN2C
SCHEMBL17958168 0.88 GRIN2A (0.63) GRIN2AGRIN1GRIA2GRIN2DGRIN2C
SCHEMBL16636739 0.88 GRIN2A (0.63) GRIN2AGRIN1GRIA2GRIN2DGRIN2C
SCHEMBL16645684 0.86 GRIN2A (0.61) GRIN2AGRIN1GRIA2GRIN2DGRIN2C
SCHEMBL17958354 0.82 GRIN2A (0.67) GRIN2AGRIN1GRIA2GRIN2DGRIN2C
SCHEMBL16645821 0.82 GRIN2A (0.63) GRIN2AGRIN1GRIA2GRIN2DGRIN2C
SCHEMBL21917142 0.82 GRIN2A (0.63) GRIN2AGRIN1GRIA2GRIN2DGRIN2C
SCHEMBL17958146 0.81 GRIN2A (0.81) GRIN2AGRIN1GRIA2GRIN2DGRIN2C
SCHEMBL16636294 0.81 GRIN2A (0.65) 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