SCHEMBL17044348

SCHEMBL17044348

Cc1ccccc1-c1c(OC(=O)O)n(CCOc2ccc(Cl)cc2Cl)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XBP1 P17861 1/20 0.50
CDC7 O00311 1/20 0.47
EEF2K O00418 1/20 0.47
DAPK3 O43293 1/20 0.47
MAP4K4 O95819 1/20 0.47
PAK4 O96013 1/20 0.47
RPS6KB1 P23443 1/20 0.47
MARK3 P27448 1/20 0.47
AXL P30530 1/20 0.47
AKT2 P31751 1/20 0.47
CSNK1A1 P48729 1/20 0.47
MAPKAPK2 P49137 1/20 0.47
GSK3B P49841 1/20 0.47
IRAK1 P51617 1/20 0.47
NEK2 P51955 1/20 0.47
NEK4 P51957 1/20 0.47
MAP4K2 Q12851 1/20 0.47
ROCK1 Q13464 1/20 0.47
CAMK2B Q13554 1/20 0.47
CAMK2G Q13555 1/20 0.47

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
SCHEMBL17044345 0.95 MARK3 (0.53) XBP1CDC7EEF2KDAPK3MAP4K4
SCHEMBL17044282 0.95 CDC7 (0.50) XBP1CDC7EEF2KDAPK3MAP4K4
SCHEMBL2204657 0.87 MARK3 (0.63) XBP1CDC7EEF2KDAPK3MAP4K4
SCHEMBL17044292 0.86 MARK3 (0.52) CDC7EEF2KDAPK3MAP4K4PAK4
SCHEMBL17044257 0.83 MARK3 (0.68) CDC7EEF2KDAPK3MAP4K4PAK4
SCHEMBL2203930 0.83 CDC7 (0.51) XBP1CDC7EEF2KDAPK3MAP4K4
SCHEMBL2202627 0.82 MARK3 (0.70) XBP1CDC7EEF2KDAPK3MAP4K4
SCHEMBL2204966 0.81 MARK3 (0.66) XBP1CDC7EEF2KDAPK3MAP4K4
SCHEMBL17044251 0.81 MARK3 (0.55) CDC7EEF2KDAPK3MAP4K4PAK4
SCHEMBL17044374 0.80 MARK3 (0.62) CDC7EEF2KDAPK3MAP4K4PAK4

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
EP-2134685-B1 7-NONSUBSTITUTED INDOLE DERIVATIVES AS MCL-1 INHIBITORS ABBVIE INC (US) 2015-09-02 EP claimed