SCHEMBL13500889

SCHEMBL13500889

O=C(Nc1ccccc1N1CCNCC1)c1ccn2ncc(-c3ccc(O)c(OCc4ccccc4)c3)c2n1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYBB P04839 2/20 0.67
SLC2A1 P11166 1/20 0.51
CHEK1 O14757 16/20 0.48
PIM1 P11309 1/20 0.42
PIM2 Q9P1W9 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
SCHEMBL13500876 0.95 CYBB (0.68) CYBBSLC2A1CHEK1
SCHEMBL13500887 0.91 CYBB (0.65) CYBBSLC2A1CHEK1
SCHEMBL13500888 0.91 CYBB (0.64) CYBBSLC2A1CHEK1PIM1PIM2
SCHEMBL13500824 0.91 CYBB (0.66) CYBBSLC2A1CHEK1PIM1PIM2
SCHEMBL13500871 0.89 CYBB (0.67) CYBBSLC2A1CHEK1
SCHEMBL13500953 0.89 CYBB (0.67) CYBBSLC2A1CHEK1
SCHEMBL13500930 0.88 CYBB (0.73) CYBBSLC2A1CHEK1PIM1PIM2
SCHEMBL13500928 0.88 CYBB (0.63) CYBBSLC2A1CHEK1
SCHEMBL13500878 0.84 CYBB (0.75) CYBBSLC2A1CHEK1PIM1PIM2
SCHEMBL13500959 0.84 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