SCHEMBL13501262

SCHEMBL13501262

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

nearest known ligand 0.80

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYBB P04839 2/20 0.80
SLC2A1 P11166 1/20 0.55
PIM1 P11309 12/20 0.47
PIM2 Q9P1W9 8/20 0.47
FLT3 P36888 1/20 0.46
CYP3A4 P08684 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
IRAK1 P51617 1/20 0.45
IRAK4 Q9NWZ3 1/20 0.45
JAK2 O60674 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL13501275 0.93 CYBB (0.78) CYBBSLC2A1PIM1PIM2FLT3
SCHEMBL13501279 0.93 CYBB (0.78) CYBBSLC2A1PIM1PIM2FLT3
SCHEMBL13500863 0.91 CYBB (0.84) CYBBSLC2A1PIM1PIM2FLT3
SCHEMBL13501214 0.91 CYBB (0.78) CYBBSLC2A1PIM1PIM2FLT3
SCHEMBL13501140 0.91 CYBB (0.86) CYBBSLC2A1PIM1PIM2FLT3
SCHEMBL13501274 0.89 CYBB (0.83) CYBBSLC2A1PIM1PIM2FLT3
SCHEMBL13501174 0.89 CYBB (0.76) CYBBSLC2A1PIM1PIM2FLT3
SCHEMBL13501176 0.89 CYBB (0.76) CYBBSLC2A1PIM1PIM2FLT3
SCHEMBL13501190 0.89 CYBB (0.76) CYBBSLC2A1PIM1PIM2FLT3
SCHEMBL13501312 0.89 CYBB (1.00) 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