SCHEMBL19635587

SCHEMBL19635587

CCOC(=O)c1c(CCCOc2cccc3cc(F)ccc23)c2cccc3c2n1CCCCOCc1nn(C)c(CC)c1-3

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 9/20 0.76
BAD Q92934 11/20 0.74
BCL2L1 Q07817 9/20 0.74
BCL2 P10415 9/20 0.66

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
SCHEMBL19635950 0.94 MCL1 (0.75) MCL1BADBCL2L1BCL2
SCHEMBL19615206 0.94 MCL1 (0.86) MCL1BADBCL2L1BCL2
SCHEMBL19615277 0.94 MCL1 (0.72) MCL1BADBCL2L1BCL2
SCHEMBL23111137 0.93 MCL1 (0.88) MCL1BADBCL2L1BCL2
SCHEMBL23786353 0.91 BAD (0.88) MCL1BADBCL2L1BCL2
SCHEMBL19635966 0.89 MCL1 (0.65) MCL1BADBCL2L1BCL2
SCHEMBL19635964 0.89 MCL1 (0.67) MCL1BADBCL2L1BCL2
SCHEMBL19635958 0.89 MCL1 (0.64) MCL1BADBCL2L1BCL2
SCHEMBL19635591 0.89 MCL1 (0.76) MCL1BADBCL2L1BCL2
SCHEMBL23111187 0.89 MCL1 (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