SCHEMBL19635283

SCHEMBL19635283

CCOC(=O)c1c(CCCOc2cccc3ccccc23)c2cccc(-c3c(COC(C)C)nn(C)c3CC)c2n1CCCNC

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 19/20 0.57
PMAIP1 Q13794 6/20 0.46
ALB P02768 1/20 0.46
BCL2 P10415 1/20 0.42
BCL2L1 Q07817 1/20 0.42
BAD Q92934 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
SCHEMBL19635281 0.95 MCL1 (0.52) MCL1PMAIP1ALBBCL2BCL2L1
Hydrochloric Acid SCHEMBL29601852 0.94 MCL1 (0.51) MCL1PMAIP1ALBBCL2BCL2L1
Hydrochloric Acid SCHEMBL21802251 0.94 MCL1 (0.51) MCL1PMAIP1ALBBCL2BCL2L1
SCHEMBL19635288 0.93 MCL1 (0.51) MCL1PMAIP1ALBBCL2BCL2L1
Hydrochloric Acid SCHEMBL29601873 0.92 MCL1 (0.51) MCL1PMAIP1ALBBCL2BCL2L1
Hydrochloric Acid SCHEMBL21802225 0.92 MCL1 (0.51) MCL1PMAIP1ALBBCL2BCL2L1
SCHEMBL19635480 0.91 MCL1 (0.60) MCL1PMAIP1ALBBCL2BCL2L1
SCHEMBL19635294 0.90 MCL1 (0.58) MCL1PMAIP1ALBBCL2BCL2L1
Hydrochloric Acid SCHEMBL19615290 0.90 MCL1 (0.59) MCL1PMAIP1ALBBCL2BCL2L1
Hydrochloric Acid SCHEMBL29601770 0.90 MCL1 (0.59) MCL1PMAIP1ALBBCL2BCL2L1

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