SCHEMBL19178672

SCHEMBL19178672

CCc1nccc(C)c1-c1cccc2c(CCCOc3cccc4ccccc34)c(OC(=O)O)n(Cc3cscn3)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 19/20 0.47
ALB P02768 2/20 0.43
EEF2K O00418 2/20 0.40
MARK3 P27448 2/20 0.40
AXL P30530 2/20 0.40
NEK4 P51957 2/20 0.40
CAMK2B Q13554 2/20 0.40
CAMK2G Q13555 2/20 0.40
CAMK2D Q13557 2/20 0.40
MARK2 Q7KZI7 2/20 0.40
PIM3 Q86V86 2/20 0.40
HIPK2 Q9H2X6 2/20 0.40
MKNK2 Q9HBH9 2/20 0.40
MAP3K20 Q9NYL2 2/20 0.40
CDC7 O00311 1/20 0.40
DAPK3 O43293 1/20 0.40
MAP4K4 O95819 1/20 0.40
PAK4 O96013 1/20 0.40
RPS6KB1 P23443 1/20 0.40
AKT2 P31751 1/20 0.40

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
SCHEMBL4170145 0.91 MCL1 (0.54) MCL1ALBEEF2KMARK3AXL
SCHEMBL19178803 0.91 MCL1 (0.48) MCL1ALBEEF2KMARK3AXL
SCHEMBL19179298 0.88 MCL1 (0.50) MCL1ALBEEF2KMARK3AXL
SCHEMBL19179173 0.86 MCL1 (0.52) MCL1ALBEEF2KMARK3AXL
SCHEMBL4160531 0.81 MCL1 (0.56) MCL1ALBEEF2KMARK3AXL
SCHEMBL19180418 0.79 MCL1 (0.42) MCL1ALBEEF2KMARK3AXL
SCHEMBL4164257 0.79 MCL1 (0.58) MCL1ALBEEF2KMARK3AXL
SCHEMBL19180691 0.78 MCL1 (0.55) MCL1ALBEEF2KMARK3AXL
SCHEMBL19180453 0.77 MCL1 (0.47) MCL1ALBEEF2KMARK3AXL
SCHEMBL4154286 0.77 MCL1 (0.60) MCL1ALBEEF2KMARK3AXL

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-2134684-B1 7-SUBSTITUTED INDOLE AS MCL-1 INHIBITORS ABBVIE INC (US) 2017-08-02 EP claimed