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SCHEMBL19635119

SCHEMBL19635119

CCOC(=O)c1c(CCCOc2cccc3ccccc23)c2cccc3c2n1CCCN(c1ccc(I)cc1)Cc1[nH]nc(C)c1-3

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 20/20 0.48
▸ PMAIP1 Q13794 10/20 0.47
▸ BCL2L1 Q07817 4/20 0.47
▸ BAD Q92934 3/20 0.47
▸ BCL2 P10415 4/20 0.44
▸ ALB P02768 1/20 0.43

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
SCHEMBL19635121 0.95 MCL1 (0.49) MCL1PMAIP1BCL2L1BADBCL2
SCHEMBL19635835 0.95 MCL1 (0.51) MCL1PMAIP1BCL2L1BADBCL2
SCHEMBL19634904 0.93 MCL1 (0.56) MCL1PMAIP1BCL2L1BADBCL2
SCHEMBL24378057 0.93 MCL1 (0.51) MCL1PMAIP1BCL2L1BADBCL2
SCHEMBL19634903 0.89 MCL1 (0.46) MCL1PMAIP1BCL2L1BADBCL2
SCHEMBL19635619 0.88 MCL1 (0.58) MCL1PMAIP1BCL2L1BADBCL2
SCHEMBL19635124 0.87 MCL1 (0.54) MCL1PMAIP1BCL2L1BADALB
SCHEMBL19635358 0.85 MCL1 (0.54) MCL1PMAIP1BCL2L1BADBCL2
SCHEMBL19635035 0.85 MCL1 (0.57) MCL1PMAIP1BCL2L1BADBCL2
SCHEMBL19635987 0.85 MCL1 (0.56) MCL1PMAIP1BCL2L1BADBCL2

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