SCHEMBL8912871

SCHEMBL8912871

O=c1[nH]c2cc(C(F)(F)F)c(-n3ccnn3)cc2n2c(=O)[nH]nc12

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.39
GRIA1 P42261 2/20 0.38
GRIA2 P42262 2/20 0.38
GRIA3 P42263 2/20 0.38
GRIA4 P48058 2/20 0.38
GRIK1 P39086 1/20 0.36
GRIK2 Q13002 1/20 0.36
GRIK3 Q13003 1/20 0.36
GRIK4 Q16099 1/20 0.36
GRIK5 Q16478 1/20 0.36
EGLN2 Q96KS0 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL8912056 0.81 GRIA1 (0.48) GRIA1GRIA2GRIA3GRIA4
SCHEMBL8911163 0.79 GRIA1 (0.36) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8910771 0.78 NOTUM (0.41) NOTUMGRIA1GRIA2GRIA3GRIA4
SCHEMBL7347889 0.77 PARP1 (0.39) GRIA1GRIA2GRIA3GRIA4NPSR1
SCHEMBL8911215 0.77 GRIA1 (0.35) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8911380 0.77 NOTUM (0.45) NOTUM
SCHEMBL8911334 0.77 PDE3B (0.40) GRIA1GRIA2GRIA3GRIA4
SCHEMBL8912360 0.77 GRIA1 (0.46) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8911468 0.76 GRIA1 (0.42) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8911993 0.75 GRIA1 (0.39) GRIA1GRIA2GRIA3GRIA4GRIK1

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