SCHEMBL16645703

SCHEMBL16645703

Cc1sc2nc(Cc3cccc(C(C)(F)F)c3F)cc(=O)n2c1Cn1cccn1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 20/20 0.56
GRIN2A Q12879 20/20 0.56
GRIA2 P42262 12/20 0.56

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
SCHEMBL17958185 0.94 GRIN1 (0.64) GRIN1GRIN2AGRIA2
SCHEMBL16645485 0.83 GRIN1 (0.59) GRIN1GRIN2AGRIA2
SCHEMBL16637291 0.79 GRIN1 (0.70) GRIN1GRIN2AGRIA2
SCHEMBL16645796 0.78 GRIN1 (0.69) GRIN1GRIN2AGRIA2
SCHEMBL16645814 0.77 GRIN1 (0.67) GRIN1GRIN2AGRIA2
SCHEMBL16645620 0.77 GRIN1 (0.64) GRIN1GRIN2AGRIA2
SCHEMBL16645711 0.77 GRIN1 (0.57) GRIN1GRIN2AGRIA2
SCHEMBL17958235 0.76 GRIN1 (0.68) GRIN1GRIN2AGRIA2
SCHEMBL17958125 0.76 GRIN1 (0.75) GRIN1GRIN2AGRIA2
SCHEMBL16645617 0.75 GRIN1 (0.60) 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