SCHEMBL17044263

SCHEMBL17044263

O=C(O)Oc1c(-c2ccccc2C(F)(F)F)c2ccccc2n1CCCOc1cccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MARK3 P27448 3/20 0.56
GSK3B P49841 3/20 0.56
CAMK2B Q13554 3/20 0.56
MARK2 Q7KZI7 3/20 0.56
MINK1 Q8N4C8 3/20 0.56
SRPK1 Q96SB4 3/20 0.56
HIPK2 Q9H2X6 3/20 0.56
CDC7 O00311 2/20 0.56
IRAK1 P51617 2/20 0.56
NEK4 P51957 2/20 0.56
MAP4K2 Q12851 2/20 0.56
CDC42BPA Q5VT25 2/20 0.56
TAOK1 Q7L7X3 2/20 0.56
HIPK4 Q8NE63 2/20 0.56
MAP3K20 Q9NYL2 2/20 0.56
EEF2K O00418 1/20 0.56
DAPK3 O43293 1/20 0.56
MAP4K4 O95819 1/20 0.56
PAK4 O96013 1/20 0.56
RPS6KB1 P23443 1/20 0.56

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
SCHEMBL17044248 0.93 MARK3 (0.49) MARK3GSK3BCAMK2BMARK2MINK1
SCHEMBL17044303 0.89 MARK3 (0.63) MARK3GSK3BCAMK2BMARK2MINK1
SCHEMBL17044369 0.88 MARK3 (0.44) MARK3GSK3BCAMK2BMARK2MINK1
SCHEMBL2204665 0.87 MARK3 (0.74) MARK3GSK3BCAMK2BMARK2MINK1
SCHEMBL17044216 0.87 MARK3 (0.60) MARK3GSK3BCAMK2BMARK2MINK1
SCHEMBL17044255 0.86 MARK3 (0.75) MARK3GSK3BCAMK2BMARK2MINK1
SCHEMBL17044296 0.85 MARK3 (0.52) MARK3GSK3BCAMK2BMARK2MINK1
SCHEMBL17044301 0.84 MARK3 (0.58) MARK3GSK3BCAMK2BMARK2MINK1
SCHEMBL17044290 0.84 MARK3 (0.67) MARK3GSK3BCAMK2BMARK2MINK1
SCHEMBL17044325 0.84 MCL1 (0.56) MARK3GSK3BCAMK2BMARK2MINK1

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