SCHEMBL19635079

SCHEMBL19635079

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

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 18/20 0.62
BCL2L1 Q07817 2/20 0.44
BAD Q92934 2/20 0.44
BCL2 P10415 1/20 0.43
ALB P02768 1/20 0.42
PMAIP1 Q13794 1/20 0.42

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
SCHEMBL19635822 0.94 MCL1 (0.66) MCL1BCL2L1BADBCL2ALB
SCHEMBL19635975 0.93 MCL1 (0.69) MCL1BCL2L1BADBCL2ALB
SCHEMBL19635076 0.91 MCL1 (0.59) MCL1BCL2L1BADBCL2ALB
SCHEMBL19635488 0.91 MCL1 (0.65) MCL1BCL2L1BADBCL2ALB
SCHEMBL19635443 0.91 MCL1 (0.60) MCL1BCL2L1BADBCL2ALB
SCHEMBL19634880 0.90 MCL1 (0.58) MCL1BCL2L1BADALB
SCHEMBL19635415 0.90 MCL1 (0.61) MCL1BCL2L1BADBCL2PMAIP1
SCHEMBL19635181 0.90 MCL1 (0.66) MCL1BCL2L1BADBCL2ALB
SCHEMBL19635765 0.89 MCL1 (0.64) MCL1BCL2L1BADBCL2ALB
SCHEMBL19635428 0.89 MCL1 (0.62) MCL1BCL2L1BADBCL2ALB

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