SCHEMBL8911658

SCHEMBL8911658

O=c1[nH]c2cc(Cl)c(-n3ccnc3)cc2n2c(=O)[nH]nc12

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50
GRIN2D O15399 2/20 0.42
GRIN3B O60391 2/20 0.42
GRIA1 P42261 2/20 0.42
GRIA2 P42262 2/20 0.42
GRIA3 P42263 2/20 0.42
GRIA4 P48058 2/20 0.42
GRIN1 Q05586 2/20 0.42
GRIN2A Q12879 2/20 0.42
GRIN2B Q13224 2/20 0.42
GRIN2C Q14957 2/20 0.42
GRIN3A Q8TCU5 2/20 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
SCHEMBL8911197 0.95 CA12 (0.47) CA12CA9GRIN2DGRIN3BGRIA1
SCHEMBL8911151 0.84 GRIK1 (0.43) GRIA1GRIA2GRIA3GRIA4
SCHEMBL8911413 0.84 PDE2A (0.43) GRIA1GRIA2GRIA3GRIA4
SCHEMBL8912056 0.84 GRIA1 (0.48) GRIA1GRIA2GRIA3GRIA4
SCHEMBL8911643 0.83 GRIK1 (0.65) GRIA1GRIA2GRIA3GRIA4
SCHEMBL8912360 0.81 GRIA1 (0.46) GRIA1GRIA2GRIA3GRIA4
SCHEMBL8911530 0.81 GRIK1 (0.41) GRIA1GRIA2GRIA3GRIA4
SCHEMBL8911406 0.81 GRIK1 (0.65) GRIA1GRIA2GRIA3GRIA4
SCHEMBL8912201 0.79 PGR (0.45)
SCHEMBL8911094 0.79 PRMT5 (0.44)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0698024-B1 [1,2,4]TRIAZOLO [4,3-a]QUINOXALINE COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK AS (DK) 1997-01-22 EP disclosed
US-5532236-A TREATMENT OF PARKINSON'S DISEASE NOVO NORDISK A/S (DK) 1996-07-02 US disclosed