SCHEMBL4717664

SCHEMBL4717664

CC(C)(C)OC(=O)N[C@@H]1CCN(S(=O)(=O)c2ccc3[nH]c(=O)c4[nH]ccc4c3c2)C1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.46
JAK2 O60674 4/20 0.45
JAK1 P23458 4/20 0.45
JAK3 P52333 2/20 0.45
KDM4E B2RXH2 5/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HSD17B10 Q99714 2/20 0.41
NAMPT P43490 1/20 0.40
EPHX2 P34913 1/20 0.39
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
TYK2 P29597 1/20 0.38
DDR1 Q08345 1/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38

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
Butyric Acid SCHEMBL4161883 0.94 BRD4 (0.45) BRD4JAK2JAK1JAK3KDM4E
Butyric Acid SCHEMBL4162687 0.94 BRD4 (0.45) BRD4JAK2JAK1JAK3KDM4E
SCHEMBL3242979 0.85 KDM4E (0.45) BRD4JAK2JAK1JAK3KDM4E
SCHEMBL3242729 0.85 KDM4E (0.45) BRD4JAK2JAK1JAK3KDM4E
SCHEMBL3242728 0.85 KDM4E (0.45) BRD4JAK2JAK1JAK3KDM4E
SCHEMBL3245428 0.84 BRD4 (0.44) BRD4JAK2JAK1JAK3KDM4E
SCHEMBL3261316 0.83 BRD4 (0.44) BRD4JAK2JAK1JAK3NAMPT
SCHEMBL31129982 0.82 BRD4 (0.47) BRD4JAK2JAK1JAK3MEN1
SCHEMBL31130027 0.82 BRD4 (0.47) BRD4JAK2JAK1JAK3MEN1
SCHEMBL31129899 0.81 BRD4 (0.47) BRD4JAK2JAK1JAK3KDM4E

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
EP-1899335-A1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2008-03-19 EP disclosed
WO-2007003611-A1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2007-01-11 WO disclosed