SCHEMBL19635954

SCHEMBL19635954

CCc1nn(C)c2c1-c1c(C)ccc3c(C(C)CCOc4cccc5ccccc45)c(C=O)n(c13)CCCCOC2

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 14/20 0.59
BAD Q92934 6/20 0.52
BCL2 P10415 4/20 0.52
BCL2L1 Q07817 4/20 0.52

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
SCHEMBL19635286 0.94 MCL1 (0.62) MCL1BADBCL2BCL2L1
SCHEMBL19615120 0.89 MCL1 (0.71) MCL1BADBCL2BCL2L1
SCHEMBL19615321 0.88 MCL1 (0.64) MCL1BADBCL2BCL2L1
SCHEMBL24378278 0.83 MCL1 (0.65) MCL1BADBCL2BCL2L1
SCHEMBL19615103 0.83 MCL1 (0.74) MCL1BADBCL2BCL2L1
SCHEMBL19635274 0.82 MCL1 (0.67) MCL1BADBCL2BCL2L1
SCHEMBL19635585 0.82 MCL1 (0.72) MCL1BADBCL2BCL2L1
SCHEMBL19635085 0.82 MCL1 (0.70) MCL1BADBCL2BCL2L1
SCHEMBL19635711 0.81 MCL1 (0.62) MCL1BADBCL2BCL2L1
SCHEMBL24594061 0.77 MCL1 (0.80) MCL1BADBCL2BCL2L1

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