SCHEMBL19635338

SCHEMBL19635338

CCOC(=O)c1c(CCCOc2cccc3ccccc23)c2cccc3c2n1CCCN(c1ccc(N2CCN(S(N)(=O)=O)CC2)cc1)Cc1c-3c(C)nn1C

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 19/20 0.53
BCL2 P10415 1/20 0.50
PMAIP1 Q13794 7/20 0.49
BCL2L1 Q07817 2/20 0.49
BAD Q92934 2/20 0.49
ALB P02768 1/20 0.47

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
SCHEMBL19635467 0.96 MCL1 (0.57) MCL1BCL2PMAIP1BCL2L1BAD
SCHEMBL19635337 0.93 MCL1 (0.51) MCL1BCL2PMAIP1BCL2L1BAD
SCHEMBL19635833 0.92 MCL1 (0.55) MCL1BCL2PMAIP1BCL2L1BAD
SCHEMBL19635837 0.91 MCL1 (0.61) MCL1BCL2PMAIP1BCL2L1BAD
SCHEMBL19635124 0.91 MCL1 (0.54) MCL1PMAIP1BCL2L1BADALB
SCHEMBL19615104 0.90 MCL1 (0.63) MCL1BCL2PMAIP1BCL2L1BAD
SCHEMBL23251230 0.89 MCL1 (0.62) MCL1BCL2PMAIP1BCL2L1BAD
SCHEMBL19615092 0.87 MCL1 (0.64) MCL1BCL2PMAIP1BCL2L1BAD
SCHEMBL19635355 0.87 MCL1 (0.56) MCL1BCL2PMAIP1BCL2L1BAD
SCHEMBL23251228 0.86 MCL1 (0.58) MCL1BCL2PMAIP1BCL2L1BAD

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