SCHEMBL17044249

SCHEMBL17044249

Cc1cccc(Cn2c(OC(=O)O)c(CCCOc3cccc4ccccc34)c3ccccc32)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 18/20 0.64
CDC7 O00311 1/20 0.45
EEF2K O00418 1/20 0.45
DAPK3 O43293 1/20 0.45
MAP4K4 O95819 1/20 0.45
PAK4 O96013 1/20 0.45
RPS6KB1 P23443 1/20 0.45
MARK3 P27448 1/20 0.45
AXL P30530 1/20 0.45
AKT2 P31751 1/20 0.45
CSNK1A1 P48729 1/20 0.45
MAPKAPK2 P49137 1/20 0.45
GSK3B P49841 1/20 0.45
IRAK1 P51617 1/20 0.45
NEK2 P51955 1/20 0.45
NEK4 P51957 1/20 0.45
MAP4K2 Q12851 1/20 0.45
ROCK1 Q13464 1/20 0.45
CAMK2B Q13554 1/20 0.45
CAMK2G Q13555 1/20 0.45

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
SCHEMBL17044357 0.91 MCL1 (0.64) MCL1CDC7EEF2KDAPK3MAP4K4
SCHEMBL17044267 0.91 MCL1 (0.66) MCL1CDC7EEF2KDAPK3MAP4K4
SCHEMBL17044268 0.87 MCL1 (0.55) MCL1CDC7EEF2KDAPK3MAP4K4
SCHEMBL19180486 0.87 MCL1 (0.55) MCL1CDC7EEF2KDAPK3MAP4K4
SCHEMBL2204548 0.87 MCL1 (0.85) MCL1CDC7EEF2KDAPK3MAP4K4
SCHEMBL17044275 0.87 MCL1 (0.66) MCL1CDC7EEF2KDAPK3MAP4K4
SCHEMBL17044227 0.86 MCL1 (0.53) MCL1CDC7EEF2KDAPK3MAP4K4
SCHEMBL17044365 0.86 MCL1 (0.65) MCL1CDC7EEF2KDAPK3MAP4K4
SCHEMBL17044281 0.86 MCL1 (0.68) MCL1CDC7EEF2KDAPK3MAP4K4
SCHEMBL17044363 0.85 MCL1 (0.58) MCL1CDC7EEF2KDAPK3MAP4K4

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