SCHEMBL9080503

SCHEMBL9080503

O=c1[nH]c2ccc(Cl)cc2n2c(CP(=O)(O)O)nnc12

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 3/20 0.48
GRIN3B O60391 3/20 0.48
GRIN1 Q05586 3/20 0.48
GRIN2A Q12879 3/20 0.48
GRIN2B Q13224 3/20 0.48
GRIN2C Q14957 3/20 0.48
GRIN3A Q8TCU5 3/20 0.48
GRIA1 P42261 1/20 0.48
GRIA2 P42262 1/20 0.48
GRIA3 P42263 1/20 0.48
GRIA4 P48058 1/20 0.48
ADORA3 P0DMS8 6/20 0.42
DAO P14920 1/20 0.41
ADORA2A P29274 2/20 0.39
ADORA1 P30542 2/20 0.39

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
SCHEMBL9091860 0.83 GRIN2D (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9091852 0.83 MEN1 (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9093104 0.76 PDE5A (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9081091 0.76 GRIN1 (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9080793 0.75 GRIA1 (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8368403 0.74 GRIN2D (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9091146 0.72 GRIN2D (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8195326 0.70 GRIA1 (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8367741 0.70 GRIN2D (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9091293 0.70 ACP3 (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5559106-A Heterocyclic compounds, their use and preparation NOVO NORDISK A/S (DK) 1996-09-24 US claimed
EP-0691969-A1 [1,2,4] TRIAZOLO [4,3-a] QUINOXALINE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1996-01-17 EP claimed
WO-1994021639-A1 [1,2,4] TRIAZOLO [4,3-a] QUINOXALINE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1994-09-29 WO claimed
US-5559106-A Heterocyclic compounds, their use and preparation NOVO NORDISK A/S (DK) 1996-09-24 US disclosed
EP-0691969-A1 [1,2,4] TRIAZOLO [4,3-a] QUINOXALINE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1996-01-17 EP disclosed
WO-1994021639-A1 [1,2,4] TRIAZOLO [4,3-a] QUINOXALINE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1994-09-29 WO disclosed