SCHEMBL13500987

SCHEMBL13500987

O=C(Nc1ccccc1N1CCNCC1)c1ccn2ncc(-c3cccc(Cc4ccccc4)c3)c2n1

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYBB P04839 2/20 0.79
SLC2A1 P11166 1/20 0.59
CHEK1 O14757 17/20 0.55

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
SCHEMBL13500959 0.94 CYBB (0.80) CYBBSLC2A1CHEK1
SCHEMBL13500966 0.93 CYBB (0.72) CYBBSLC2A1CHEK1
SCHEMBL13500916 0.91 CYBB (0.85) CYBBSLC2A1CHEK1
SCHEMBL13500778 0.90 CYBB (0.83) CYBBSLC2A1CHEK1
SCHEMBL13501309 0.89 CYBB (0.74) CYBBSLC2A1CHEK1
SCHEMBL13500930 0.88 CYBB (0.73) CYBBSLC2A1CHEK1
SCHEMBL13500757 0.88 CYBB (1.00) CYBBSLC2A1CHEK1
SCHEMBL13500917 0.88 CYBB (0.84) CYBBSLC2A1CHEK1
SCHEMBL13500915 0.88 CYBB (0.80) CYBBSLC2A1CHEK1
SCHEMBL13500896 0.87 CYBB (0.82) CYBBSLC2A1CHEK1

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