SCHEMBL19635408

SCHEMBL19635408

CCOC(O)c1c(CCCOc2cccc3ccccc23)c2ccc(C)c(-c3c(CO)nn(C)c3C)c2n1CCCN(C)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 14/20 0.40
ALB P02768 1/20 0.40
BCL2L1 Q07817 8/20 0.39
BAD Q92934 8/20 0.39
BCL2 P10415 4/20 0.39
EEF2K O00418 1/20 0.38
MARK3 P27448 1/20 0.38
AXL P30530 1/20 0.38
BCL6 P41182 1/20 0.38
NEK4 P51957 1/20 0.38
PRKCD Q05655 1/20 0.38
PRKAA1 Q13131 1/20 0.38
CAMK2B Q13554 1/20 0.38
CAMK2G Q13555 1/20 0.38
CAMK2D Q13557 1/20 0.38
MARK2 Q7KZI7 1/20 0.38
PIM3 Q86V86 1/20 0.38
HIPK2 Q9H2X6 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
MAP3K20 Q9NYL2 1/20 0.38

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
SCHEMBL19615964 0.90 MCL1 (0.50) MCL1ALBBCL2L1BADBCL2
SCHEMBL19635405 0.89 MCL1 (0.43) MCL1ALBBCL2L1BADBCL2
SCHEMBL24722498 0.86 BAD (0.46) MCL1BCL2L1BADBCL2PMAIP1
SCHEMBL19635169 0.84 MCL1 (0.42) MCL1ALBBCL2L1BADBCL2
SCHEMBL19615861 0.83 MCL1 (0.47) MCL1ALBBCL2L1BADBCL2
SCHEMBL28645820 0.82 MCL1 (0.58) MCL1ALBBCL2L1BADBCL2
SCHEMBL19615373 0.82 MCL1 (0.49) MCL1ALBBCL2L1BADBCL2
SCHEMBL22436867 0.82 BAD (0.47) MCL1ALBBCL2L1BADBCL2
SCHEMBL28658227 0.81 MCL1 (0.49) MCL1ALBBCL2L1BADBCL2
SCHEMBL24722557 0.81 BAD (0.46) MCL1BCL2L1BADBCL2PMAIP1

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