SCHEMBL17044366

SCHEMBL17044366

CN(C)c1ccccc1-c1c(OC(=O)O)n(CCCOc2cccc3ccccc23)c2ccc(F)cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MARK3 P27448 4/20 0.50
CAMK2B Q13554 4/20 0.50
MARK2 Q7KZI7 4/20 0.50
HIPK2 Q9H2X6 4/20 0.50
GSK3B P49841 3/20 0.50
MINK1 Q8N4C8 3/20 0.50
SRPK1 Q96SB4 3/20 0.50
NEK4 P51957 3/20 0.50
MAP3K20 Q9NYL2 3/20 0.50
CDC7 O00311 2/20 0.50
IRAK1 P51617 2/20 0.50
MAP4K2 Q12851 2/20 0.50
CDC42BPA Q5VT25 2/20 0.50
TAOK1 Q7L7X3 2/20 0.50
HIPK4 Q8NE63 2/20 0.50
EEF2K O00418 2/20 0.50
AXL P30530 2/20 0.50
CAMK2G Q13555 2/20 0.50
CAMK2D Q13557 2/20 0.50
PIM3 Q86V86 2/20 0.50

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
SCHEMBL17044343 0.89 MARK3 (0.64) MARK3CAMK2BMARK2HIPK2GSK3B
SCHEMBL2206336 0.88 MARK3 (0.66) MARK3CAMK2BMARK2HIPK2GSK3B
SCHEMBL17044218 0.87 MARK3 (0.52) MARK3CAMK2BMARK2HIPK2GSK3B
SCHEMBL17044308 0.86 MARK3 (0.50) MARK3CAMK2BMARK2HIPK2GSK3B
SCHEMBL17044248 0.85 MARK3 (0.49) MARK3CAMK2BMARK2HIPK2GSK3B
SCHEMBL17044312 0.85 MARK3 (0.56) MARK3CAMK2BMARK2HIPK2GSK3B
SCHEMBL17044272 0.84 MARK3 (0.47) MARK3CAMK2BMARK2HIPK2GSK3B
SCHEMBL17044338 0.83 MARK3 (0.44) MARK3CAMK2BMARK2HIPK2GSK3B
SCHEMBL17044376 0.82 MCL1 (0.53) MARK3CAMK2BMARK2HIPK2GSK3B
SCHEMBL17044253 0.82 HTR1B (0.47) MARK3CAMK2BMARK2HIPK2GSK3B

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