SCHEMBL19615941

SCHEMBL19615941

CCc1nn(C)c(CO)c1-c1c(C)ccc2c(CCCO[Si](C)(C)C(C)(C)C)c(C(=O)O)[nH]c12

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 20/20 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
MAP4K5 Q9Y4K4 1/20 0.38
BCL2 P10415 1/20 0.35
BCL2L1 Q07817 1/20 0.35

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
SCHEMBL22437366 0.92 MCL1 (0.38) MCL1EEF2KMARK3AXLBCL6
SCHEMBL19615394 0.92 MCL1 (0.34) MCL1EEF2KMARK3AXLBCL6
SCHEMBL19615182 0.87 MCL1 (0.30) MCL1
SCHEMBL22437422 0.86 MCL1 (0.39) MCL1EEF2KMARK3AXLBCL6
SCHEMBL23111365 0.84 MCL1 (0.33) MCL1EEF2KMARK3AXLBCL6
SCHEMBL23091314 0.83 MCL1 (0.44) MCL1EEF2KMARK3AXLBCL6
SCHEMBL28658588 0.80 MCL1 (0.58) MCL1EEF2KMARK3AXLBCL6
SCHEMBL29602025 0.80
SCHEMBL19615388 0.80 MCL1 (0.43) MCL1EEF2KMARK3AXLBCL6
SCHEMBL19635573 0.80

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-A1 MACROCYCLIC INDOLE DERIVATIVES Bayer Aktiengesellschaft (DE) 2019-03-27 EP disclosed
WO-2017198341-A1 MACROCYCLIC INDOLE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2017-11-23 WO disclosed