SCHEMBL19635772

SCHEMBL19635772

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

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 15/20 0.62
BCL2L1 Q07817 7/20 0.58
BCL2 P10415 7/20 0.58
BAD Q92934 6/20 0.58
PMAIP1 Q13794 3/20 0.54

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
SCHEMBL19635654 0.89 MCL1 (0.63) MCL1BCL2L1BCL2BADPMAIP1
SCHEMBL19635703 0.88 MCL1 (0.59) MCL1BCL2L1BCL2BADPMAIP1
SCHEMBL19635678 0.88 MCL1 (0.64) MCL1BCL2L1BCL2BADPMAIP1
SCHEMBL19635709 0.88 MCL1 (0.61) MCL1BCL2L1BCL2BADPMAIP1
SCHEMBL19635045 0.87 MCL1 (0.61) MCL1BCL2L1BCL2BADPMAIP1
SCHEMBL19635734 0.87 MCL1 (0.59) MCL1BCL2L1BCL2BADPMAIP1
SCHEMBL19635128 0.87 MCL1 (0.61) MCL1BCL2L1BCL2BADPMAIP1
SCHEMBL19615310 0.86 MCL1 (0.74) MCL1BCL2L1BCL2BADPMAIP1
SCHEMBL19635082 0.86 MCL1 (0.58) MCL1BCL2L1BCL2BADPMAIP1
SCHEMBL19635532 0.85 MCL1 (0.69) MCL1BCL2L1BCL2BADPMAIP1

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