SCHEMBL19635696

SCHEMBL19635696

CCOC(=O)c1c(CCCOc2cccc3ccccc23)c2cccc3c2n1CCCCOCc1n[nH]c(OC(F)F)c1-3

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 15/20 0.54
BAD Q92934 6/20 0.52
BCL2L1 Q07817 5/20 0.52
BCL2 P10415 3/20 0.52
PMAIP1 Q13794 6/20 0.48

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
SCHEMBL19635709 0.92 MCL1 (0.61) MCL1BADBCL2L1BCL2PMAIP1
SCHEMBL19635565 0.89 MCL1 (0.56) MCL1BADBCL2L1BCL2PMAIP1
SCHEMBL19635887 0.88 MCL1 (0.54) MCL1BADBCL2L1BCL2PMAIP1
SCHEMBL19635694 0.87 MCL1 (0.62) MCL1BADBCL2L1BCL2PMAIP1
SCHEMBL19635000 0.86 MCL1 (0.53) MCL1BADBCL2L1BCL2PMAIP1
SCHEMBL19635063 0.84 MCL1 (0.71) MCL1BADBCL2L1BCL2PMAIP1
SCHEMBL19635872 0.84 MCL1 (0.58) MCL1BADBCL2L1BCL2PMAIP1
SCHEMBL19635957 0.83 BAD (0.54) MCL1BADBCL2L1BCL2PMAIP1
SCHEMBL19635243 0.83 MCL1 (0.61) MCL1BADBCL2L1BCL2PMAIP1
SCHEMBL19635457 0.83 MCL1 (0.53) MCL1BADBCL2L1BCL2PMAIP1

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