SCHEMBL8911380

SCHEMBL8911380

O=c1[nH]c2cc(C(F)(F)F)c(N3CCOCC3)cc2n2c(=O)[nH]nc12

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 0.45
PDE3B Q13370 2/20 0.40
PDE3A Q14432 2/20 0.40
FGFR3 P22607 1/20 0.36
RIOK2 Q9BVS4 1/20 0.36
PIK3R1 P27986 1/20 0.35
PIK3CA P42336 1/20 0.35

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
SCHEMBL8910771 0.89 NOTUM (0.41) NOTUMRIOK2
SCHEMBL8911334 0.87 PDE3B (0.40) PDE3BPDE3ARIOK2
SCHEMBL8911357 0.80 ALDH1A1 (0.43)
SCHEMBL2951073 0.78 GRIA1 (0.56) NOTUMPDE3BPDE3AFGFR3PIK3R1
SCHEMBL7347889 0.77 PARP1 (0.39)
SCHEMBL8186584 0.77 GRIA1 (0.37) NOTUMPDE3BPDE3A
SCHEMBL8912871 0.77 NOTUM (0.39) NOTUM
SCHEMBL8912056 0.77 GRIA1 (0.48)
SCHEMBL8186930 0.76 PDE5A (0.42) NOTUM
SCHEMBL8911468 0.76 GRIA1 (0.42)

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
EP-0698024-B1 [1,2,4]TRIAZOLO [4,3-a]QUINOXALINE COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK AS (DK) 1997-01-22 EP claimed
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