SCHEMBL19635058

SCHEMBL19635058

CCOC(=O)c1c(CCCOc2cccc3ccccc23)c2cccc(-c3c(C)n[nH]c3CO)c2n1CCCN(C)C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 19/20 0.46
ALB P02768 2/20 0.43
PMAIP1 Q13794 3/20 0.39
BCL2 P10415 2/20 0.38
EEF2K O00418 2/20 0.37
MARK3 P27448 2/20 0.37
AXL P30530 2/20 0.37
NEK4 P51957 2/20 0.37
CAMK2B Q13554 2/20 0.37
CAMK2G Q13555 2/20 0.37
CAMK2D Q13557 2/20 0.37
MARK2 Q7KZI7 2/20 0.37
PIM3 Q86V86 2/20 0.37
HIPK2 Q9H2X6 2/20 0.37
MKNK2 Q9HBH9 2/20 0.37
MAP3K20 Q9NYL2 2/20 0.37
BCL6 P41182 1/20 0.37
PRKCD Q05655 1/20 0.37
PRKAA1 Q13131 1/20 0.37
MAP4K5 Q9Y4K4 1/20 0.37

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
SCHEMBL19635252 0.94 MCL1 (0.46) MCL1ALBPMAIP1BCL2EEF2K
SCHEMBL19615365 0.93 MCL1 (0.43) MCL1ALBPMAIP1BCL2EEF2K
SCHEMBL19635299 0.92 MCL1 (0.44) MCL1ALBPMAIP1BCL2EEF2K
SCHEMBL19635235 0.92 MCL1 (0.45) MCL1ALBPMAIP1BCL2EEF2K
SCHEMBL19635060 0.88 MCL1 (0.55) MCL1ALBPMAIP1BCL2EEF2K
SCHEMBL19615373 0.87 MCL1 (0.49) MCL1ALBPMAIP1BCL2EEF2K
SCHEMBL19635233 0.85 MCL1 (0.54) MCL1ALBPMAIP1BCL2EEF2K
SCHEMBL30035964 0.85 MCL1 (0.54) MCL1ALBPMAIP1BCL2EEF2K
SCHEMBL19615286 0.85 MCL1 (0.56) MCL1ALBPMAIP1BCL2BCL2L1
SCHEMBL19635888 0.85 MCL1 (0.46) MCL1ALBPMAIP1BCL2EEF2K

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3458459-B1 MACROCYCLIC INDOLE DERIVATIVES BAYER AG (DE) 2022-04-27 EP disclosed
WO-2017198341-A1 MACROCYCLIC INDOLE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2017-11-23 WO disclosed