SCHEMBL24378049

SCHEMBL24378049

CCOC(=O)c1c(CCCOc2cccc3ccccc23)c2cccc(-c3c(C)n[nH]c3CO)c2n1CCCNc1ccc(C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 18/20 0.47
ALB P02768 2/20 0.44
MARK3 P27448 3/20 0.41
CAMK2B Q13554 3/20 0.41
MARK2 Q7KZI7 3/20 0.41
HIPK2 Q9H2X6 3/20 0.41
GSK3B P49841 2/20 0.41
MINK1 Q8N4C8 2/20 0.41
SRPK1 Q96SB4 2/20 0.41
SYK P43405 1/20 0.41
PLK1 P53350 1/20 0.41
PLK3 Q9H4B4 1/20 0.41
PMAIP1 Q13794 3/20 0.39
EEF2K O00418 2/20 0.39
AXL P30530 2/20 0.39
NEK4 P51957 2/20 0.39
CAMK2G Q13555 2/20 0.39
CAMK2D Q13557 2/20 0.39
PIM3 Q86V86 2/20 0.39
MKNK2 Q9HBH9 2/20 0.39

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
SCHEMBL19635450 0.93 MCL1 (0.49) MCL1ALBMARK3CAMK2BMARK2
SCHEMBL19634901 0.90 MCL1 (0.48) MCL1ALBMARK3CAMK2BMARK2
SCHEMBL19635776 0.85 MCL1 (0.49) MCL1ALBMARK3CAMK2BMARK2
SCHEMBL21802206 0.83 MCL1 (0.57) MCL1ALBMARK3CAMK2BMARK2
SCHEMBL19635236 0.83 MCL1 (0.48) MCL1ALBMARK3CAMK2BMARK2
SCHEMBL19635058 0.83 MCL1 (0.46) MCL1ALBMARK3CAMK2BMARK2
SCHEMBL19615397 0.82 MCL1 (0.55) MCL1ALBMARK3CAMK2BMARK2
SCHEMBL19615402 0.80 MCL1 (0.57) MCL1ALBMARK3CAMK2BMARK2
SCHEMBL19615191 0.80 MCL1 (0.58) MCL1ALBMARK3CAMK2BMARK2
SCHEMBL19616039 0.79 MCL1 (0.55) MCL1ALBMARK3CAMK2BMARK2

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