SCHEMBL29601801

SCHEMBL29601801

CN(CCCn1c(C(=O)O)c(CCCOc2cccc3ccccc23)c2ccccc21)C(=O)OC(C)(C)C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 16/20 0.62
MARK3 P27448 3/20 0.54
GSK3B P49841 3/20 0.54
CAMK2B Q13554 3/20 0.54
MARK2 Q7KZI7 3/20 0.54
MINK1 Q8N4C8 3/20 0.54
SRPK1 Q96SB4 3/20 0.54
HIPK2 Q9H2X6 3/20 0.54
CDC7 O00311 2/20 0.54
IRAK1 P51617 2/20 0.54
NEK4 P51957 2/20 0.54
MAP4K2 Q12851 2/20 0.54
CDC42BPA Q5VT25 2/20 0.54
TAOK1 Q7L7X3 2/20 0.54
HIPK4 Q8NE63 2/20 0.54
MAP3K20 Q9NYL2 2/20 0.54
EEF2K O00418 1/20 0.54
DAPK3 O43293 1/20 0.54
MAP4K4 O95819 1/20 0.54
PAK4 O96013 1/20 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
SCHEMBL2205446 0.85 MCL1 (0.72) MCL1MARK3GSK3BCAMK2BMARK2
SCHEMBL29602354 0.84 MCL1 (0.63) MCL1MARK3GSK3BCAMK2BMARK2
SCHEMBL19615375 0.82 MCL1 (0.51) MCL1MARK3GSK3BCAMK2BMARK2
SCHEMBL28645820 0.81 MCL1 (0.58) MCL1MARK3CAMK2BMARK2HIPK2
SCHEMBL28926855 0.81 MCL1 (0.59) MCL1MARK3CAMK2BMARK2HIPK2
SCHEMBL28643047 0.81 MCL1 (0.50) MCL1MARK3GSK3BCAMK2BMARK2
SCHEMBL28652809 0.81 MCL1 (0.58) MCL1MARK3CAMK2BMARK2HIPK2
SCHEMBL19615964 0.80 MCL1 (0.50) MCL1ALBBCL2BCL2L1BAD
SCHEMBL19615250 0.80 MCL1 (0.50) MCL1MARK3GSK3BCAMK2BMARK2
SCHEMBL19618985 0.80 MCL1 (0.52) MCL1MARK3GSK3BCAMK2BMARK2

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-3458459-B1 MACROCYCLIC INDOLE DERIVATIVES BAYER AG (DE) 2022-04-27 EP disclosed