SCHEMBL16645689

SCHEMBL16645689

CC(F)(F)c1ccc(Cl)c(Cc2cc(=O)n3c(C(N)=O)c(C(F)(F)F)sc3n2)c1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRIN2A Q12879 18/20 0.44
GRIN1 Q05586 17/20 0.44
GRIA2 P42262 9/20 0.42
ABL1 P00519 1/20 0.35
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
GRIN2D O15399 1/20 0.34
GRIN2C Q14957 1/20 0.34

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
SCHEMBL16645695 0.90 GRIN1 (0.53) GRIN2AGRIN1GRIA2
SCHEMBL17958191 0.81 GRIN1 (0.60) GRIN2AGRIN1GRIA2
SCHEMBL16645936 0.81 GRIN1 (0.59) GRIN2AGRIN1GRIA2
SCHEMBL20403423 0.80 GRIN1 (0.58) GRIN2AGRIN1GRIA2
SCHEMBL17958182 0.76 GRIN1 (0.61) GRIN2AGRIN1GRIA2
SCHEMBL16645746 0.76 GRIN2A (0.51) GRIN2AGRIN1GRIA2HTTGRIN2D
SCHEMBL16645672 0.75 GRIN2A (0.54) GRIN2AGRIN1GRIA2GRIN2DGRIN2C
SCHEMBL17958096 0.74 GRIN1 (0.73) GRIN2AGRIN1GRIA2
SCHEMBL16645706 0.74 GRIN1 (0.64) GRIN2AGRIN1GRIA2
SCHEMBL20403467 0.74 GRIN1 (0.59) 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