SCHEMBL19635189

SCHEMBL19635189

CCOC(=O)c1c(CCCOc2cccc3ccccc23)c2cccc(-c3c(COC)nn(C)c3CC)c2n1CCCCN(C)C(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 18/20 0.54
PMAIP1 Q13794 6/20 0.45
ALB P02768 1/20 0.43
BCL2 P10415 3/20 0.41
BAD Q92934 2/20 0.40
BCL2L1 Q07817 1/20 0.40

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
SCHEMBL19635190 0.96 MCL1 (0.49) MCL1PMAIP1ALBBCL2BAD
SCHEMBL19635193 0.95 MCL1 (0.49) MCL1PMAIP1ALBBCL2BAD
SCHEMBL30036265 0.94 MCL1 (0.49) MCL1PMAIP1ALBBCL2BAD
SCHEMBL21802190 0.94 MCL1 (0.49) MCL1PMAIP1ALBBCL2BAD
SCHEMBL19615582 0.93 MCL1 (0.49) MCL1PMAIP1ALBBCL2BAD
SCHEMBL19615286 0.93 MCL1 (0.56) MCL1PMAIP1ALBBCL2BAD
SCHEMBL19615921 0.92 MCL1 (0.55) MCL1PMAIP1ALBBCL2BAD
SCHEMBL21802202 0.91 MCL1 (0.49) MCL1PMAIP1ALBBCL2BAD
SCHEMBL19618971 0.91 MCL1 (0.49) MCL1PMAIP1ALBBCL2BAD
SCHEMBL19634879 0.89 MCL1 (0.48) MCL1PMAIP1ALBBCL2BAD

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