SCHEMBL19635485

SCHEMBL19635485

CCOC(=O)c1c(CCCOc2cccc3ccccc23)c2cccc(-c3c(CO)nn(C)c3CC)c2n1CCCN(C)C

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 19/20 0.61
PMAIP1 Q13794 7/20 0.50
ALB P02768 2/20 0.48
BCL2 P10415 2/20 0.44
BCL2L1 Q07817 1/20 0.44
BAD Q92934 1/20 0.44

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
SCHEMBL19615286 0.91 MCL1 (0.56) MCL1PMAIP1ALBBCL2BCL2L1
SCHEMBL23251260 0.87 MCL1 (0.57) MCL1PMAIP1ALBBCL2BCL2L1
SCHEMBL19634974 0.86 MCL1 (0.51) MCL1PMAIP1ALBBCL2BCL2L1
SCHEMBL19615921 0.85 MCL1 (0.55) MCL1PMAIP1ALBBCL2BCL2L1
SCHEMBL19635847 0.85 MCL1 (0.54) MCL1PMAIP1ALBBCL2BCL2L1
SCHEMBL19634930 0.85 MCL1 (0.48) MCL1PMAIP1ALBBCL2BCL2L1
SCHEMBL19635462 0.85 MCL1 (0.54) MCL1PMAIP1ALBBCL2BCL2L1
Hydrochloric Acid SCHEMBL29602512 0.84 MCL1 (0.54) MCL1PMAIP1ALBBCL2BCL2L1
Hydrochloric Acid SCHEMBL29602325 0.84 MCL1 (0.54) MCL1PMAIP1ALBBCL2BCL2L1
Hydrochloric Acid SCHEMBL19615172 0.84 MCL1 (0.54) 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