SCHEMBL16645690

SCHEMBL16645690

C=C(Cc1c(C)sc2nc(COc3ccc(F)cc3)cc(=O)n12)NC=N

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRIN2A Q12879 8/20 0.60
GRIN1 Q05586 7/20 0.60
GRIA2 P42262 5/20 0.56
MAPT P10636 7/20 0.49
POLB P06746 6/20 0.49
RXFP1 Q9HBX9 6/20 0.49
TP53 P04637 3/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL16636616 0.85 GRIN2A (0.66) GRIN2AGRIN1GRIA2MAPTPOLB
SCHEMBL16636662 0.84 GRIN2A (0.65) GRIN2AGRIN1GRIA2MAPTPOLB
SCHEMBL16636830 0.83 GRIN2A (0.68) GRIN2AGRIN1GRIA2MAPTPOLB
SCHEMBL17958276 0.82 GRIN2A (0.62) GRIN2AGRIN1GRIA2MAPTPOLB
SCHEMBL16637168 0.82 GRIN2A (0.66) GRIN2AGRIN1GRIA2MAPTPOLB
SCHEMBL16637050 0.81 GRIN2A (0.64) GRIN2AGRIN1GRIA2MAPTPOLB
SCHEMBL16636443 0.79 GRIN2A (0.66) GRIN2AGRIN1GRIA2MAPTPOLB
SCHEMBL17958202 0.79 GRIN2A (0.62) GRIN2AGRIN1GRIA2MAPTPOLB
SCHEMBL16645969 0.78 GRIN2A (0.64) GRIN2AGRIN1GRIA2MAPTPOLB
SCHEMBL16637123 0.77 GRIN2A (0.77) GRIN2AGRIN1GRIA2MAPTPOLB

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