SCHEMBL8911530

SCHEMBL8911530

N#Cc1cc2c(cc1-n1ccnc1)[nH]c(=O)c1n[nH]c(=O)n12

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.41
GRIA1 P42261 1/20 0.41
GRIA2 P42262 1/20 0.41
GRIA3 P42263 1/20 0.41
GRIA4 P48058 1/20 0.41
GRIK2 Q13002 1/20 0.41
GRIK3 Q13003 1/20 0.41
GRIK4 Q16099 1/20 0.41
GRIK5 Q16478 1/20 0.41
PDE2A O00408 1/20 0.41
PDE1A P54750 1/20 0.41
PDE1B Q01064 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE1C Q14123 1/20 0.41
PDE3A Q14432 1/20 0.41

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
SCHEMBL8911413 0.96 PDE2A (0.43) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL8911151 0.84 GRIK1 (0.43) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL8911197 0.84 CA12 (0.47) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL8911658 0.81 CA12 (0.50) GRIA1GRIA2GRIA3GRIA4
SCHEMBL8912360 0.81 GRIA1 (0.46) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL8911406 0.80 GRIK1 (0.65) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL8912056 0.79 GRIA1 (0.48) GRIA1GRIA2GRIA3GRIA4
SCHEMBL8911643 0.78 GRIK1 (0.65) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL8911094 0.77 PRMT5 (0.44) PDE2APDE1APDE1BPDE3BPDE1C
SCHEMBL8912201 0.77 PGR (0.45) PDE2APDE1APDE1BPDE3BPDE1C

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