SCHEMBL19635263

SCHEMBL19635263

CCOC(=O)c1c(CCCOc2cccc3ccccc23)c2cccc3c2n1CCCN(C)Cc1c-3c(COc2ccc(SC)cc2)nn1C

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BAD Q92934 3/20 0.51
BCL2L1 Q07817 2/20 0.51
MCL1 Q07820 18/20 0.51
PMAIP1 Q13794 8/20 0.51
BCL2 P10415 1/20 0.48

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
SCHEMBL19635427 0.94 MCL1 (0.55) BADBCL2L1MCL1PMAIP1BCL2
SCHEMBL19635612 0.93 MCL1 (0.58) BADBCL2L1MCL1PMAIP1BCL2
SCHEMBL19635260 0.91 MCL1 (0.50) BADBCL2L1MCL1PMAIP1BCL2
SCHEMBL19635067 0.91 MCL1 (0.53) BADBCL2L1MCL1PMAIP1BCL2
SCHEMBL19635335 0.90 MCL1 (0.55) BADBCL2L1MCL1PMAIP1BCL2
SCHEMBL19634885 0.90 MCL1 (0.60) BADBCL2L1MCL1PMAIP1BCL2
SCHEMBL19635415 0.90 MCL1 (0.61) BADBCL2L1MCL1PMAIP1BCL2
SCHEMBL19635844 0.89 MCL1 (0.50) BADBCL2L1MCL1PMAIP1BCL2
SCHEMBL19635519 0.89 BAD (0.56) BADBCL2L1MCL1PMAIP1BCL2
SCHEMBL19635899 0.89 MCL1 (0.56) BADBCL2L1MCL1PMAIP1BCL2

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