SCHEMBL13500930

SCHEMBL13500930

O=C(Nc1ccccc1N1CCNCC1)c1ccn2ncc(-c3cccc(OCc4ccccc4)c3)c2n1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYBB P04839 2/20 0.73
SLC2A1 P11166 1/20 0.56
CHEK1 O14757 12/20 0.51
PIM1 P11309 2/20 0.51
PIM2 Q9P1W9 2/20 0.51
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
TSHR P16473 1/20 0.49
EPHB3 P54753 1/20 0.45
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL13500871 0.92 CYBB (0.67) CYBBSLC2A1CHEK1MEN1MAPK1
SCHEMBL13500959 0.89 CYBB (0.80) CYBBSLC2A1CHEK1
SCHEMBL13500876 0.89 CYBB (0.68) CYBBSLC2A1CHEK1
SCHEMBL13501331 0.89 SLC2A1 (0.72) CYBBSLC2A1PIM1PIM2ALDH1A1
SCHEMBL13500953 0.88 CYBB (0.67) CYBBSLC2A1CHEK1
SCHEMBL13500987 0.88 CYBB (0.79) CYBBSLC2A1CHEK1
SCHEMBL13500875 0.88 CYBB (0.79) CYBBSLC2A1CHEK1PIM1PIM2
SCHEMBL13500872 0.88 CYBB (0.60) CYBBSLC2A1CHEK1ALDH1A1GAA
SCHEMBL13501329 0.88 SLC2A1 (0.62) CYBBSLC2A1PIM1PIM2ALDH1A1
SCHEMBL13500889 0.88 CYBB (0.67) CYBBSLC2A1CHEK1PIM1PIM2

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