SCHEMBL19635443

SCHEMBL19635443

CCOC(=O)c1c(CCCOc2cccc3ccccc23)c2cccc3c2n1C/C=C\COCc1c-3c(COc2ccc(N3CCOCC3)cc2)nn1C

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 19/20 0.60
BCL2 P10415 1/20 0.50
ALB P02768 1/20 0.47
BCL2L1 Q07817 1/20 0.46
BAD Q92934 1/20 0.46

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
SCHEMBL19635765 0.95 MCL1 (0.64) MCL1BCL2ALBBCL2L1BAD
SCHEMBL19634860 0.94 MCL1 (0.60) MCL1BCL2BCL2L1BAD
SCHEMBL19635673 0.94 MCL1 (0.67) MCL1BCL2ALBBCL2L1BAD
SCHEMBL19635822 0.93 MCL1 (0.66) MCL1BCL2ALBBCL2L1BAD
SCHEMBL19615978 0.92 MCL1 (0.56) MCL1BCL2ALBBCL2L1BAD
SCHEMBL19635057 0.92 MCL1 (0.59) MCL1BCL2BCL2L1BAD
SCHEMBL19635055 0.91 MCL1 (0.55) MCL1BCL2ALBBCL2L1BAD
SCHEMBL19634880 0.91 MCL1 (0.58) MCL1ALBBCL2L1BAD
SCHEMBL19634951 0.91 MCL1 (0.61) MCL1BCL2BCL2L1BAD
SCHEMBL19635079 0.91 MCL1 (0.62) MCL1BCL2ALBBCL2L1BAD

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