SCHEMBL16645704

SCHEMBL16645704

C#Cc1cccc(Cc2cc(=O)n3c4c(sc3n2)C(C)CC4)c1F

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIN2A Q12879 8/20 0.49
GRIN1 Q05586 7/20 0.49
GRIA2 P42262 5/20 0.49
MAPT P10636 9/20 0.35
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RXFP1 Q9HBX9 3/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL17971490 0.91 GRIN2A (0.60) GRIN2AGRIN1GRIA2MAPTPOLB
SCHEMBL16645714 0.81 MAPT (0.50) GRIN2AGRIN1GRIA2MAPTRXFP1
SCHEMBL16645702 0.80 GRIN2A (0.54) GRIN2AGRIN1GRIA2MAPTPOLB
SCHEMBL16645948 0.79 GRIN2A (0.68) GRIN2AGRIN1GRIA2
SCHEMBL16645973 0.77 GRIN2A (0.56) GRIN2AGRIN1GRIA2MAPTRXFP1
SCHEMBL16645693 0.75 GRIN1 (0.66) GRIN2AGRIN1GRIA2
SCHEMBL16645692 0.74 GRIN1 (0.56) GRIN2AGRIN1GRIA2
SCHEMBL17971489 0.72 GRIN2A (0.59) GRIN2AGRIN1GRIA2MAPTRXFP1
SCHEMBL16636732 0.71 GRIN2A (0.77) GRIN2AGRIN1GRIA2
SCHEMBL17958172 0.70 GRIN2A (0.66) GRIN2AGRIN1GRIA2POLBAPEX1

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