SCHEMBL19635375

SCHEMBL19635375

CCOC(=O)c1c(CCCOc2cccc3cc(F)c(C)cc23)c2cccc3c2n1CCCCOCc1[nH]nc(C)c1-3

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 16/20 0.51
BCL2L1 Q07817 4/20 0.47
BAD Q92934 4/20 0.47
BCL2 P10415 2/20 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
SCHEMBL19634919 0.92 MCL1 (0.58) MCL1BCL2L1BADBCL2
SCHEMBL19635352 0.91 MCL1 (0.56) MCL1BCL2L1BADBCL2
SCHEMBL19635524 0.89 MCL1 (0.58) MCL1BCL2L1BADBCL2
SCHEMBL19635598 0.89 MCL1 (0.50) MCL1BCL2L1BADBCL2
SCHEMBL19635371 0.88 MCL1 (0.65) MCL1BCL2L1BADBCL2
SCHEMBL19635857 0.84 MCL1 (0.53) MCL1BCL2L1BCL2
SCHEMBL19635118 0.83 MCL1 (0.62) MCL1BCL2L1BADBCL2
SCHEMBL19635000 0.83 MCL1 (0.53) MCL1BCL2L1BADBCL2
SCHEMBL19635457 0.83 MCL1 (0.53) MCL1BCL2L1BADBCL2
SCHEMBL19635960 0.83 BAD (0.54) MCL1BCL2L1BADBCL2

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