SCHEMBL13500835

SCHEMBL13500835

COc1ccc(-c2cnn3ccc(C(=O)Nc4ccccc4N4CCNCC4)nc23)cc1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYBB P04839 2/20 0.72
CHEK1 O14757 15/20 0.66
SLC2A1 P11166 1/20 0.53
HTR1A P08908 1/20 0.49
HTR7 P34969 1/20 0.49
GAA P10253 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL13501026 0.95 CYBB (0.66) CYBBCHEK1SLC2A1HTR1AHTR7
SCHEMBL13500926 0.91 CYBB (0.72) CYBBCHEK1SLC2A1
SCHEMBL13500875 0.91 CYBB (0.79) CYBBCHEK1SLC2A1
SCHEMBL13500915 0.90 CYBB (0.80) CYBBCHEK1SLC2A1
SCHEMBL13500778 0.90 CYBB (0.83) CYBBCHEK1SLC2A1
SCHEMBL13500781 0.89 CYBB (0.82) CYBBCHEK1SLC2A1
SCHEMBL13501025 0.89 CYBB (0.67) CYBBCHEK1SLC2A1GAA
SCHEMBL13500806 0.89 CYBB (0.73) CYBBCHEK1SLC2A1
SCHEMBL13500951 0.88 CYBB (0.74) CYBBCHEK1SLC2A1
SCHEMBL13500892 0.88 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