SCHEMBL13500830

SCHEMBL13500830

CC(C)(C)OC(=O)NCCN1CCN(C(=O)c2ccn3ncc(-c4cccc(Cl)c4)c3n2)CC1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYBB P04839 2/20 0.49
SLC2A1 P11166 1/20 0.47
PIM1 P11309 13/20 0.46
PIM2 Q9P1W9 9/20 0.46
FLT3 P36888 1/20 0.46
DRD2 P14416 3/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL13500846 0.88 CYBB (0.53) CYBBSLC2A1PIM1PIM2FLT3
SCHEMBL13500854 0.87 CYBB (0.52) CYBBSLC2A1PIM1PIM2FLT3
SCHEMBL13500852 0.85 CYBB (0.46) CYBBSLC2A1PIM1PIM2FLT3
SCHEMBL13500829 0.83 CYBB (0.52) CYBBSLC2A1PIM1PIM2FLT3
SCHEMBL13500853 0.77 CYBB (0.68) CYBBSLC2A1PIM1PIM2FLT3
SCHEMBL13500782 0.77 CYBB (0.58) CYBBSLC2A1PIM1PIM2FLT3
SCHEMBL13501065 0.76 PIM1 (0.59) CYBBSLC2A1PIM1PIM2FLT3
SCHEMBL13501364 0.76 SLC2A1 (0.63) CYBBSLC2A1PIM1PIM2FLT3
SCHEMBL13500763 0.75 CYBB (0.57) CYBBSLC2A1PIM1PIM2FLT3
SCHEMBL13500755 0.74 CYBB (0.73) CYBBSLC2A1PIM1PIM2FLT3

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