SCHEMBL30289082

SCHEMBL30289082

CC(C)(C)OC(=O)CC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.55
PDK1 Q15118 1/20 0.50
PDK2 Q15119 1/20 0.50
PDK3 Q15120 1/20 0.50
PDK4 Q16654 1/20 0.50
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HTT P42858 1/20 0.44
ABHD6 Q9BV23 1/20 0.44
DAGLA Q9Y4D2 1/20 0.44
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
OPRK1 P41145 1/20 0.42
NR1H2 P55055 2/20 0.42
NR1H3 Q13133 2/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GPR119 Q8TDV5 1/20 0.41
STS P08842 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
SCHEMBL30289491 1.00 PARP1 (0.55) PARP1PDK1PDK2PDK3PDK4
SCHEMBL30289208 1.00 PARP1 (0.55) PARP1PDK1PDK2PDK3PDK4
SCHEMBL28827315 0.93 PARP1 (0.56) PARP1PDK1PDK2PDK3PDK4
SCHEMBL7496827 0.90 PARP1 (0.56) PARP1PDK1PDK2PDK3PDK4
SCHEMBL7494554 0.90 PARP1 (0.56) PARP1PDK1PDK2PDK3PDK4
SCHEMBL31376622 0.89 PARP1 (0.57) PARP1PDK1PDK2PDK3PDK4
SCHEMBL7490944 0.89 PARP1 (0.56) PARP1PDK1PDK2PDK3PDK4
SCHEMBL778980 0.87 PARP1 (0.58) PARP1PDK1PDK2PDK3PDK4
SCHEMBL4828910 0.87 PARP1 (0.58) PARP1PDK1PDK2PDK3PDK4
SCHEMBL17068124 0.87 PARP1 (0.58) PARP1PDK1PDK2PDK3PDK4

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-4405359-A2 MDM2 DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2024-07-31 EP disclosed
WO-2023049790-A2 MDM2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-03-30 WO disclosed