SCHEMBL19635909

SCHEMBL19635909

CCOC(=O)c1c(CCCOc2cccc3ccccc23)c2cccc3c2n1C/C=C\COCc1n[nH]c(C(F)(F)F)c1-3

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 13/20 0.55
PMAIP1 Q13794 3/20 0.42
BAD Q92934 8/20 0.41
BCL2L1 Q07817 7/20 0.41
BCL2 P10415 5/20 0.41
ALB P02768 1/20 0.41

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
SCHEMBL19635484 0.90 MCL1 (0.56) MCL1PMAIP1BADBCL2L1BCL2
SCHEMBL19634949 0.89 MCL1 (0.54) MCL1PMAIP1BADBCL2L1BCL2
SCHEMBL19635908 0.87 MCL1 (0.65) MCL1PMAIP1BADBCL2L1BCL2
SCHEMBL19635883 0.87 MCL1 (0.61) MCL1PMAIP1BADBCL2L1BCL2
SCHEMBL19635383 0.85 MCL1 (0.71) MCL1PMAIP1BADBCL2L1BCL2
SCHEMBL19635540 0.84 MCL1 (0.53) MCL1PMAIP1BADBCL2L1BCL2
SCHEMBL19635518 0.84 MCL1 (0.63) MCL1PMAIP1BADBCL2L1BCL2
SCHEMBL19634992 0.84 MCL1 (0.64) MCL1PMAIP1BADBCL2L1BCL2
SCHEMBL24594052 0.84 MCL1 (0.67) MCL1PMAIP1BADBCL2L1BCL2
SCHEMBL19635489 0.84 MCL1 (0.52) MCL1PMAIP1BADBCL2L1BCL2

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