SCHEMBL13500778

SCHEMBL13500778

O=C(Nc1ccccc1N1CCNCC1)c1ccn2ncc(-c3ccccc3)c2n1

nearest known ligand 0.83

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYBB P04839 2/20 0.83
CHEK1 O14757 17/20 0.62
SLC2A1 P11166 1/20 0.61

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
SCHEMBL13500915 0.98 CYBB (0.80) CYBBCHEK1SLC2A1
SCHEMBL13500931 0.95 CYBB (0.76) CYBBCHEK1SLC2A1
SCHEMBL13500916 0.94 CYBB (0.85) CYBBCHEK1SLC2A1
SCHEMBL13500943 0.93 CYBB (0.76) CYBBCHEK1SLC2A1
SCHEMBL13500781 0.93 CYBB (0.82) CYBBCHEK1SLC2A1
SCHEMBL13500776 0.93 CYBB (0.78) CYBBCHEK1SLC2A1
SCHEMBL13500923 0.92 CYBB (0.72) CYBBCHEK1SLC2A1
SCHEMBL13500966 0.92 CYBB (0.72) CYBBCHEK1SLC2A1
SCHEMBL13500926 0.92 CYBB (0.72) CYBBCHEK1SLC2A1
SCHEMBL13500922 0.92 CYBB (0.72) CYBBCHEK1SLC2A1

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
US-7662826-B2 Pyrazolo [1,5-a] pyrimidine derivative and nad (p) h oxidase inhibitor containing the same SHIONOGI & CO., LTD. (JP) 2010-02-16 US disclosed
US-7662826-B2 Pyrazolo [1,5-a] pyrimidine derivative and nad (p) h oxidase inhibitor containing the same SHIONOGI & CO., LTD. (JP) 2010-02-16 US disclosed