SCHEMBL19635585

SCHEMBL19635585

CCc1nn(C)c2c1-c1c(C)ccc3c(CCCOc4cccc5cc(F)ccc45)c(C=O)n(c13)CCCCOC2

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 15/20 0.72
BAD Q92934 5/20 0.71
BCL2L1 Q07817 4/20 0.71
BCL2 P10415 2/20 0.71

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
SCHEMBL24594061 0.95 MCL1 (0.80) MCL1BADBCL2L1BCL2
SCHEMBL19635592 0.92 MCL1 (0.69) MCL1BADBCL2L1BCL2
SCHEMBL19615064 0.89 MCL1 (0.90) MCL1BADBCL2L1BCL2
SCHEMBL19635286 0.89 MCL1 (0.62) MCL1BADBCL2L1BCL2
SCHEMBL19635582 0.88 MCL1 (0.80) MCL1BADBCL2L1BCL2
SCHEMBL23110798 0.84 MCL1 (1.00) MCL1BADBCL2L1BCL2
SCHEMBL23111077 0.83 MCL1 (0.88) MCL1BADBCL2L1BCL2
SCHEMBL22436896 0.83 BAD (1.00) MCL1BADBCL2L1BCL2
SCHEMBL19635954 0.82 MCL1 (0.59) MCL1BADBCL2L1BCL2
SCHEMBL23786289 0.82 BAD (0.88) MCL1BADBCL2L1BCL2

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