SCHEMBL17044328

SCHEMBL17044328

Cc1nn(C)c(C)c1-c1c(OC(=O)O)n(CCCOc2cccc3ccccc23)c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MARK3 P27448 4/20 0.55
CAMK2B Q13554 4/20 0.55
MARK2 Q7KZI7 4/20 0.55
HIPK2 Q9H2X6 4/20 0.55
NEK4 P51957 3/20 0.55
MAP3K20 Q9NYL2 3/20 0.55
GSK3B P49841 3/20 0.55
MINK1 Q8N4C8 3/20 0.55
SRPK1 Q96SB4 3/20 0.55
EEF2K O00418 2/20 0.55
AXL P30530 2/20 0.55
CAMK2G Q13555 2/20 0.55
CAMK2D Q13557 2/20 0.55
PIM3 Q86V86 2/20 0.55
MKNK2 Q9HBH9 2/20 0.55
CDC7 O00311 2/20 0.55
IRAK1 P51617 2/20 0.55
MAP4K2 Q12851 2/20 0.55
CDC42BPA Q5VT25 2/20 0.55
TAOK1 Q7L7X3 2/20 0.55

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
SCHEMBL17044350 0.92 MCL1 (0.50) MARK3CAMK2BMARK2HIPK2NEK4
SCHEMBL2203854 0.87 MARK3 (0.70) MARK3CAMK2BMARK2HIPK2NEK4
SCHEMBL17044344 0.87 MARK3 (0.66) MARK3CAMK2BMARK2HIPK2NEK4
SCHEMBL17044377 0.84 MCL1 (0.57) MARK3CAMK2BMARK2HIPK2NEK4
SCHEMBL17044301 0.83 MARK3 (0.58) MARK3CAMK2BMARK2HIPK2NEK4
SCHEMBL17044255 0.83 MARK3 (0.75) MARK3CAMK2BMARK2HIPK2NEK4
SCHEMBL17044303 0.83 MARK3 (0.63) MARK3CAMK2BMARK2HIPK2NEK4
SCHEMBL17044226 0.82 MARK3 (0.58) MARK3CAMK2BMARK2HIPK2NEK4
SCHEMBL17044287 0.81 MARK3 (0.57) MARK3CAMK2BMARK2HIPK2NEK4
SCHEMBL17044290 0.81 MARK3 (0.67) MARK3CAMK2BMARK2HIPK2NEK4

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