SCHEMBL19635293

SCHEMBL19635293

CCOC(=O)c1c(CCCOc2cccc3ccccc23)c2cccc(-c3c(COCc4ccccc4)nn(C)c3CBr)c2n1CCCNC

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 20/20 0.53
ALB P02768 2/20 0.46
PMAIP1 Q13794 5/20 0.42
BCL2 P10415 1/20 0.41
BCL2L1 Q07817 1/20 0.40
BAD Q92934 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
Hydrochloric Acid SCHEMBL29602109 0.99 MCL1 (0.52) MCL1ALBPMAIP1BCL2BCL2L1
Hydrochloric Acid SCHEMBL19615795 0.99 MCL1 (0.52) MCL1ALBPMAIP1BCL2BCL2L1
SCHEMBL19635294 0.95 MCL1 (0.58) MCL1ALBPMAIP1BCL2BCL2L1
SCHEMBL19635310 0.92 MCL1 (0.55) MCL1ALBPMAIP1BCL2
Hydrochloric Acid SCHEMBL21802185 0.92 MCL1 (0.52) MCL1ALBPMAIP1BCL2BCL2L1
Hydrochloric Acid SCHEMBL29602270 0.92 MCL1 (0.52) MCL1ALBPMAIP1BCL2BCL2L1
SCHEMBL19635331 0.92 MCL1 (0.53) MCL1ALBPMAIP1BCL2BCL2L1
Hydrochloric Acid SCHEMBL29602370 0.92 MCL1 (0.54) MCL1ALBPMAIP1BCL2
Hydrochloric Acid SCHEMBL19615192 0.92 MCL1 (0.54) MCL1ALBPMAIP1BCL2
Hydrochloric Acid SCHEMBL19615345 0.92 MCL1 (0.53) MCL1ALBPMAIP1BCL2BCL2L1

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