SCHEMBL8912904

SCHEMBL8912904

O=c1[nH]c2c(Br)cc(-n3ccnc3)cc2n2c(=O)[nH]nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 6/20 0.37
PDE3A Q14432 6/20 0.37
PDE2A O00408 2/20 0.37
TBXAS1 P24557 1/20 0.36
CRBN Q96SW2 1/20 0.36
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
PDE1A P54750 1/20 0.34
PDE1B Q01064 1/20 0.34
PDE1C Q14123 1/20 0.34
GRIK1 P39086 1/20 0.33
GRIA1 P42261 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA3 P42263 1/20 0.33
GRIA4 P48058 1/20 0.33
GRIK2 Q13002 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
SCHEMBL8911318 0.83 GRIA1 (0.47) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL8911151 0.80 GRIK1 (0.43) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL8912201 0.79 PGR (0.45) PDE3BPDE3APDE2ATBXAS1CRBN
SCHEMBL8911094 0.77 PRMT5 (0.44) PDE3BPDE3APDE2ATBXAS1CRBN
SCHEMBL8911197 0.73 CA12 (0.47) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL8911658 0.70 CA12 (0.50) GRIA1GRIA2GRIA3GRIA4
SCHEMBL8911530 0.70 GRIK1 (0.41) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL8912360 0.70 GRIA1 (0.46) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL8911406 0.70 GRIK1 (0.65) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL8911413 0.68 PDE2A (0.43) PDE3BPDE3APDE2APDE1APDE1B

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