SCHEMBL13500855

SCHEMBL13500855

CC(C)(C)OC(=O)NC1CCN(c2ccccc2NC(=O)c2ccn3ncc(-c4cccc(Cl)c4)c3n2)CC1

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYBB P04839 2/20 0.76
SLC2A1 P11166 1/20 0.52
PIM1 P11309 13/20 0.48
PIM2 Q9P1W9 9/20 0.48
FLT3 P36888 1/20 0.48
CKS1B P61024 1/20 0.45
SKP1 P63208 1/20 0.45
SKP2 Q13309 1/20 0.45
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.40

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
SCHEMBL13500821 0.96 CYBB (0.73) CYBBSLC2A1PIM1PIM2FLT3
SCHEMBL13500822 0.96 CYBB (0.73) CYBBSLC2A1PIM1PIM2FLT3
SCHEMBL13500863 0.89 CYBB (0.84) CYBBSLC2A1PIM1PIM2FLT3
SCHEMBL13500856 0.87 CYBB (0.70) CYBBSLC2A1PIM1PIM2FLT3
SCHEMBL13500755 0.86 CYBB (0.73) CYBBSLC2A1PIM1PIM2FLT3
SCHEMBL13501262 0.86 CYBB (0.80) CYBBSLC2A1PIM1PIM2FLT3
SCHEMBL13501312 0.86 CYBB (1.00) CYBBSLC2A1PIM1PIM2FLT3
SCHEMBL13500847 0.86 CYBB (0.79) CYBBSLC2A1PIM1PIM2FLT3
SCHEMBL13500845 0.86 CYBB (0.79) CYBBSLC2A1PIM1PIM2FLT3
SCHEMBL13501346 0.85 CYBB (0.83) 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 1 patent. 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