SCHEMBL17044377

SCHEMBL17044377

Cc1nn(C)c(C)c1-c1cccc2c1cc(OC(=O)O)n2CCCOc1cccc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 14/20 0.57
MARK3 P27448 4/20 0.57
CAMK2B Q13554 4/20 0.57
MARK2 Q7KZI7 4/20 0.57
HIPK2 Q9H2X6 4/20 0.57
NEK4 P51957 3/20 0.57
MAP3K20 Q9NYL2 3/20 0.57
EEF2K O00418 2/20 0.57
AXL P30530 2/20 0.57
CAMK2G Q13555 2/20 0.57
CAMK2D Q13557 2/20 0.57
PIM3 Q86V86 2/20 0.57
MKNK2 Q9HBH9 2/20 0.57
BCL6 P41182 1/20 0.57
PRKCD Q05655 1/20 0.57
PRKAA1 Q13131 1/20 0.57
MAP4K5 Q9Y4K4 1/20 0.57
GSK3B P49841 3/20 0.54
MINK1 Q8N4C8 3/20 0.54
SRPK1 Q96SB4 3/20 0.54

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
SCHEMBL2208646 0.88 MCL1 (0.63) MCL1MARK3CAMK2BMARK2HIPK2
SCHEMBL17044337 0.88 MARK3 (0.65) MCL1MARK3CAMK2BMARK2HIPK2
SCHEMBL17044293 0.85 MARK3 (0.66) MCL1MARK3CAMK2BMARK2HIPK2
SCHEMBL17044328 0.84 MARK3 (0.55) MCL1MARK3CAMK2BMARK2HIPK2
SCHEMBL17044316 0.84 CAMK2B (0.60) MCL1MARK3CAMK2BMARK2HIPK2
SCHEMBL17044317 0.82 MARK3 (0.57) MCL1MARK3CAMK2BMARK2HIPK2
SCHEMBL17044350 0.81 MCL1 (0.50) MCL1MARK3CAMK2BMARK2HIPK2
SCHEMBL2203854 0.81 MARK3 (0.70) MCL1MARK3CAMK2BMARK2HIPK2
SCHEMBL17044297 0.79 MCL1 (0.71) MCL1MARK3CAMK2BMARK2HIPK2
SCHEMBL2207497 0.77 MARK3 (0.60) MCL1MARK3CAMK2BMARK2HIPK2

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