SCHEMBL24378017

SCHEMBL24378017

C=CCOCc1c(-c2cccc3c(CCCOc4cccc5ccccc45)c(C)n(CC=C)c23)c(COc2ccc(SC)cc2)nn1C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 20/20 0.46
BCL2 P10415 1/20 0.40
ALB P02768 1/20 0.39
EEF2K O00418 1/20 0.36
MARK3 P27448 1/20 0.36
AXL P30530 1/20 0.36
BCL6 P41182 1/20 0.36
NEK4 P51957 1/20 0.36
PRKCD Q05655 1/20 0.36
PRKAA1 Q13131 1/20 0.36
CAMK2B Q13554 1/20 0.36
CAMK2G Q13555 1/20 0.36
CAMK2D Q13557 1/20 0.36
MARK2 Q7KZI7 1/20 0.36
PIM3 Q86V86 1/20 0.36
HIPK2 Q9H2X6 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
MAP3K20 Q9NYL2 1/20 0.36
MAP4K5 Q9Y4K4 1/20 0.36

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
SCHEMBL19635074 0.90 MCL1 (0.53) MCL1BCL2ALB
SCHEMBL19635312 0.85 MCL1 (0.50) MCL1BCL2ALB
SCHEMBL19635309 0.83 MCL1 (0.54) MCL1BCL2ALB
SCHEMBL19635072 0.80 MCL1 (0.52) MCL1BCL2ALB
SCHEMBL23251280 0.80 MCL1 (0.63) MCL1BCL2ALB
SCHEMBL19635483 0.79 MCL1 (0.52) MCL1BCL2ALB
SCHEMBL19615231 0.79 MCL1 (0.66) MCL1BCL2ALB
SCHEMBL19634876 0.78 MCL1 (0.56) MCL1BCL2ALB
SCHEMBL23251224 0.78 MCL1 (0.56) MCL1BCL2ALB
SCHEMBL23251300 0.77 MCL1 (0.59) MCL1BCL2ALB

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