SCHEMBL24744663

SCHEMBL24744663

CCOC(=O)c1[nH]c2c(Br)c(Cl)ccc2c1CCCOc1cccc2c1CCCC2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 14/20 0.58
JAK2 O60674 1/20 0.41
ERBB2 P04626 1/20 0.41
MARK3 P27448 1/20 0.41
IRAK1 P51617 1/20 0.41
NEK4 P51957 1/20 0.41
PLK1 P53350 1/20 0.41
PRKCD Q05655 1/20 0.41
MAP4K2 Q12851 1/20 0.41
PAK1 Q13153 1/20 0.41
CAMK2B Q13554 1/20 0.41
CAMK2G Q13555 1/20 0.41
CAMK2D Q13557 1/20 0.41
CAMK1 Q14012 1/20 0.41
MARK2 Q7KZI7 1/20 0.41
TAOK1 Q7L7X3 1/20 0.41
PIM3 Q86V86 1/20 0.41
MINK1 Q8N4C8 1/20 0.41
HIPK4 Q8NE63 1/20 0.41
AURKB Q96GD4 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
SCHEMBL30000989 1.00 MCL1 (0.58) MCL1JAK2ERBB2MARK3IRAK1
SCHEMBL4165525 0.88 MCL1 (0.64) MCL1JAK2ERBB2MARK3IRAK1
SCHEMBL4151868 0.84 MCL1 (0.62) MCL1JAK2ERBB2MARK3IRAK1
SCHEMBL22436876 0.83 MCL1 (0.55) MCL1JAK2ERBB2MARK3IRAK1
SCHEMBL30000950 0.83 MCL1 (0.55) MCL1JAK2ERBB2MARK3IRAK1
SCHEMBL30000277 0.83 MCL1 (0.52) MCL1MARK3NEK4PRKCDCAMK2B
SCHEMBL24744664 0.83 MCL1 (0.52) MCL1MARK3NEK4PRKCDCAMK2B
SCHEMBL15622386 0.83 MCL1 (0.80) MCL1BCL2BCL2L1
SCHEMBL2205708 0.81 MCL1 (0.79) MCL1BCL2MAPT
SCHEMBL15623020 0.81 MCL1 (0.77) MCL1BCL2BCL2L1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117957218-A Targeted protein degradation using bifunctional compounds that bind to ubiquitin ligases and target MCL-1 proteins 凯普托尔治疗学股份有限公司 2024-04-30 CN disclosed
WO-2022255888-A1 TARGETED PROTEIN DEGRADATION USING BIFUNCTIONAL COMPOUNDS THAT BIND UBIQUITIN LIGASE AND TARGET MCL-1 PROTEIN CAPTOR THERAPEUTICS S.A. (PL) 2022-12-08 WO disclosed
WO-2022253713-A1 TARGETED PROTEIN DEGRADATION USING BIFUNCTIONAL COMPOUNDS THAT BIND UBIQUITIN LIGASE AND TARGET MCL-1 PROTEIN CAPTOR THERAPEUTICS S.A. (PL) 2022-12-08 WO disclosed