SCHEMBL8364708

SCHEMBL8364708

CCc1nc(C)cn1-c1cc2c(cc1C#N)[nH]c(=O)c1nnc(CP(=O)(O)O)n12

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIA1 P42261 1/20 0.39
GRIA2 P42262 1/20 0.39
GRIA3 P42263 1/20 0.39
GRIA4 P48058 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30

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
SCHEMBL8367770 0.91 GRIN2D (0.40) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL8195327 0.85 GRIA1 (0.39) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL8911206 0.81 PDE4A (0.35) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL8368403 0.79 GRIN2D (0.49) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL8367741 0.79 GRIN2D (0.38) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL8364686 0.78 OPRL1 (0.38) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL8368316 0.77 GRIN2D (0.37) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL8366461 0.77 GRIN2D (0.37) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL8185988 0.77 GRIA1 (0.36) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL8365155 0.77 GRIN2D (0.43) GRIN2DGRIN3BGRIA1GRIA2GRIA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6001832-A [1,2,4]triazolo[4,3-a]quinoxalinone derivatives, their preparation and use NOVO NORDISKALS (DK) 1999-12-14 US disclosed
EP-0783504-A1 [1,2,4]TRIAZOLO[4,3-a]QUINOXALINONE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1997-07-16 EP disclosed
WO-1996008492-A1 [1,2,4]TRIAZOLO[4,3-a]QUINOXALINONE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1996-03-21 WO disclosed