SCHEMBL13500875

SCHEMBL13500875

COc1cccc(-c2cnn3ccc(C(=O)Nc4ccccc4N4CCNCC4)nc23)c1

nearest known ligand 0.79

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYBB P04839 2/20 0.79
SLC2A1 P11166 1/20 0.59
CHEK1 O14757 14/20 0.56
TGFBR2 P37173 1/20 0.50
GFER P55789 1/20 0.48
PIM1 P11309 1/20 0.47
PIM2 Q9P1W9 1/20 0.47

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
SCHEMBL13500835 0.91 CYBB (0.72) CYBBSLC2A1CHEK1
SCHEMBL13501025 0.90 CYBB (0.67) CYBBSLC2A1CHEK1GFERPIM1
SCHEMBL13500941 0.89 CYBB (0.82) CYBBSLC2A1CHEK1
SCHEMBL13500916 0.89 CYBB (0.85) CYBBSLC2A1CHEK1
SCHEMBL13501287 0.89 CYBB (0.79) CYBBSLC2A1CHEK1TGFBR2PIM1
SCHEMBL13500930 0.88 CYBB (0.73) CYBBSLC2A1CHEK1PIM1PIM2
SCHEMBL13500757 0.88 CYBB (1.00) CYBBSLC2A1CHEK1PIM1PIM2
SCHEMBL13500917 0.88 CYBB (0.84) CYBBSLC2A1CHEK1PIM1PIM2
SCHEMBL13500778 0.88 CYBB (0.83) CYBBSLC2A1CHEK1
SCHEMBL13500808 0.88 CYBB (0.80) 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