SCHEMBL19618971

SCHEMBL19618971

CCOCc1nn(C)c(CBr)c1-c1cccc2c(CCCOc3cccc4ccccc34)c(C(=O)OCC)n(CCCCN(C)C(=O)OC(C)(C)C)c12

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 20/20 0.49
ALB P02768 2/20 0.42
PMAIP1 Q13794 5/20 0.40
BCL2 P10415 1/20 0.40
BCL2L1 Q07817 1/20 0.37
BAD Q92934 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
SCHEMBL19635193 0.95 MCL1 (0.49) MCL1ALBPMAIP1BCL2BCL2L1
SCHEMBL21802202 0.95 MCL1 (0.49) MCL1ALBPMAIP1BCL2BCL2L1
SCHEMBL19635329 0.94 MCL1 (0.49) MCL1ALBPMAIP1BCL2BCL2L1
SCHEMBL19634881 0.94 MCL1 (0.47) MCL1ALBPMAIP1BCL2BCL2L1
SCHEMBL19615582 0.94 MCL1 (0.49) MCL1ALBPMAIP1BCL2BCL2L1
SCHEMBL30036387 0.93 MCL1 (0.49) MCL1ALBPMAIP1BCL2BCL2L1
SCHEMBL21802272 0.93 MCL1 (0.49) MCL1ALBPMAIP1BCL2BCL2L1
SCHEMBL19635680 0.92 MCL1 (0.48) MCL1ALBPMAIP1BCL2BCL2L1
SCHEMBL19616057 0.92 MCL1 (0.51) MCL1ALBPMAIP1BCL2
SCHEMBL19635819 0.92 MCL1 (0.48) MCL1ALBPMAIP1BCL2BCL2L1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109715632-B Macrocyclic indole derivatives 拜尔公开股份有限公司 2021-10-26 CN disclosed
EP-3458459-A1 MACROCYCLIC INDOLE DERIVATIVES Bayer Aktiengesellschaft (DE) 2019-03-27 EP disclosed
WO-2017198341-A1 MACROCYCLIC INDOLE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2017-11-23 WO disclosed