SCHEMBL19635550

SCHEMBL19635550

CCOC(=O)c1c(CCO)c2cccc3c2n1CCCCOCc1nn(C)c(C)c1-3

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 16/20 0.55
BCL2L1 Q07817 5/20 0.49
BAD Q92934 5/20 0.49
BCL2 P10415 2/20 0.49
PMAIP1 Q13794 2/20 0.46

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
SCHEMBL19635715 0.97 MCL1 (0.55) MCL1BCL2L1BADBCL2PMAIP1
SCHEMBL19635941 0.93 MCL1 (0.54) MCL1BCL2L1BADBCL2PMAIP1
SCHEMBL21802209 0.90 MCL1 (0.63) MCL1BCL2L1BADBCL2PMAIP1
SCHEMBL19635001 0.90 MCL1 (0.51) MCL1BCL2L1BADBCL2PMAIP1
SCHEMBL19635583 0.90 MCL1 (0.56) MCL1BCL2L1BADBCL2PMAIP1
SCHEMBL19635063 0.88 MCL1 (0.71) MCL1BCL2L1BADBCL2PMAIP1
SCHEMBL19635002 0.88 MCL1 (0.49) MCL1BCL2L1BADBCL2PMAIP1
SCHEMBL23251323 0.88 MCL1 (0.51) MCL1BCL2L1BADBCL2PMAIP1
SCHEMBL19635295 0.86 BAD (0.48) MCL1BCL2L1BADBCL2PMAIP1
SCHEMBL19635563 0.86 MCL1 (0.69) MCL1BCL2L1BADBCL2PMAIP1

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