SCHEMBL13500781

SCHEMBL13500781

O=C(Nc1ccccc1N1CCNCC1)c1ccn2ncc(-c3ccc(Cl)cc3)c2n1

nearest known ligand 0.82

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYBB P04839 2/20 0.82
SLC2A1 P11166 1/20 0.61
CHEK1 O14757 16/20 0.54
F10 P00742 1/20 0.49

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
SCHEMBL13500999 0.95 CYBB (0.75) CYBBSLC2A1CHEK1F10
SCHEMBL13500915 0.94 CYBB (0.80) CYBBSLC2A1CHEK1
SCHEMBL13500778 0.93 CYBB (0.83) CYBBSLC2A1CHEK1
SCHEMBL13501305 0.92 CYBB (0.87) CYBBSLC2A1CHEK1
SCHEMBL13500951 0.91 CYBB (0.74) CYBBSLC2A1CHEK1
SCHEMBL13500943 0.91 CYBB (0.76) CYBBSLC2A1CHEK1
SCHEMBL13500806 0.90 CYBB (0.73) CYBBSLC2A1CHEK1
SCHEMBL13500757 0.90 CYBB (1.00) CYBBSLC2A1CHEK1
SCHEMBL13500929 0.90 CYBB (0.81) CYBBSLC2A1CHEK1
SCHEMBL13500835 0.89 CYBB (0.72) 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