SCHEMBL13500910

SCHEMBL13500910

Cc1csc(Nc2ccccc2NC(=O)c2ccn3ncc(-c4cccc(Cl)c4)c3n2)n1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYBB P04839 2/20 0.59
SLC2A1 P11166 1/20 0.53
JAK2 O60674 7/20 0.47
GCK P35557 1/20 0.46
GRM5 P41594 1/20 0.46
CYP3A4 P08684 2/20 0.45
PIM1 P11309 8/20 0.43
PIM2 Q9P1W9 5/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FLT3 P36888 1/20 0.42
CYP1A2 P05177 2/20 0.41

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
SCHEMBL13500789 0.84 CYBB (0.68) CYBBSLC2A1JAK2CYP3A4PIM1
SCHEMBL13500791 0.82 CYBB (0.70) CYBBSLC2A1JAK2CYP3A4PIM1
SCHEMBL13501227 0.81 CYBB (0.69) CYBBSLC2A1JAK2CYP3A4PIM1
SCHEMBL13500843 0.81 CYBB (0.69) CYBBSLC2A1JAK2CYP3A4PIM1
SCHEMBL13500788 0.80 CYBB (0.68) CYBBSLC2A1JAK2CYP3A4PIM1
SCHEMBL13500793 0.80 CYBB (0.71) CYBBSLC2A1JAK2CYP3A4PIM1
SCHEMBL13500792 0.79 CYBB (0.65) CYBBSLC2A1JAK2CYP3A4PIM1
SCHEMBL13500841 0.79 CYBB (0.65) CYBBSLC2A1JAK2CYP3A4PIM1
SCHEMBL13500840 0.79 CYBB (0.65) CYBBSLC2A1JAK2CYP3A4PIM1
SCHEMBL13500817 0.79 SLC2A1 (0.65) CYBBSLC2A1JAK2CYP3A4PIM1

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