SCHEMBL24378024

SCHEMBL24378024

CCOC(=O)c1c(CCCOc2cccc3ccccc23)c2cccc(-c3c(COc4cnc(-c5ccccc5O)nc4)nn(C)c3CBr)c2n1CCCN(C)C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 20/20 0.47
BCL2 P10415 1/20 0.40
ALB P02768 1/20 0.39
PMAIP1 Q13794 3/20 0.38
BCL2L1 Q07817 1/20 0.36
BAD Q92934 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
SCHEMBL19635103 0.95 MCL1 (0.47) MCL1BCL2ALBPMAIP1BCL2L1
SCHEMBL19616057 0.93 MCL1 (0.51) MCL1BCL2ALBPMAIP1
SCHEMBL19615582 0.91 MCL1 (0.49) MCL1BCL2ALBPMAIP1BCL2L1
SCHEMBL24378194 0.90 MCL1 (0.50) MCL1BCL2ALBPMAIP1
SCHEMBL19615999 0.90 MCL1 (0.47) MCL1BCL2ALBPMAIP1BCL2L1
SCHEMBL19615174 0.89 MCL1 (0.49) MCL1BCL2ALBPMAIP1
SCHEMBL28652857 0.89 MCL1 (0.50) MCL1BCL2ALBPMAIP1BCL2L1
SCHEMBL19635819 0.89 MCL1 (0.48) MCL1BCL2ALBPMAIP1BCL2L1
SCHEMBL19635193 0.89 MCL1 (0.49) MCL1BCL2ALBPMAIP1BCL2L1
SCHEMBL19618971 0.89 MCL1 (0.49) MCL1BCL2ALBPMAIP1BCL2L1

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