SCHEMBL8313386

SCHEMBL8313386

CC(=O)n1cc(-c2cnco2)c2cc(Br)cnc21

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 13/20 0.35
GSK3B P49841 1/20 0.34
MAP3K7 O43318 1/20 0.33
TAB1 Q15750 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 1/20 0.33
IMPDH1 P20839 7/20 0.32
ELANE P08246 2/20 0.32
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL6279232 0.89 GAA (0.34) IMPDH2GSK3BMEN1KMT2AGAA
SCHEMBL1487574 0.87 IMPDH2 (0.34) IMPDH2GSK3BMEN1KMT2AGAA
SCHEMBL22591311 0.75 GSK3B (0.33) IMPDH2GSK3BMEN1KMT2AGAA
SCHEMBL13753911 0.73 AAK1 (0.33) IMPDH2IMPDH1ELANE
SCHEMBL13745538 0.71 BRD4 (0.40) GSK3BMEN1KMT2A
SCHEMBL1614459 0.71 DYRK1A (0.38) IMPDH2MEN1KMT2AGAAIMPDH1
SCHEMBL29086594 0.70 ELANE (0.59) GAAELANE
SCHEMBL29890000 0.70 ELANE (0.59) GAAELANE
SCHEMBL13746216 0.68 PTGDR2 (0.32) IMPDH2GSK3BIMPDH1HSD17B10
SCHEMBL1487563 0.67 DYRK1A (0.55) IMPDH2MEN1KMT2AGAA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004078756-A2 JNK INHIBITORS EISAI CO., LTD. (JP) 2004-09-16 WO disclosed