SCHEMBL31445013

SCHEMBL31445013

CC(C)(C)OC(=O)N1CCC(=O)c2ccc(Cl)nc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BUB1 O43683 2/20 0.38
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
GPR119 Q8TDV5 3/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ESR2 Q92731 1/20 0.36
PDK4 Q16654 1/20 0.35
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
ACHE P22303 1/20 0.34
LMNA P02545 1/20 0.34
ELANE P08246 1/20 0.33
STS P08842 1/20 0.33
PARP1 P09874 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33

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
SCHEMBL1809397 0.94 GPR119 (0.38) BUB1PIM1PIM2GPR119POLB
SCHEMBL31445324 0.86 POLB (0.36) BUB1PIM1PIM2GPR119POLB
SCHEMBL4247376 0.86 GRM5 (0.39) BUB1PIM1PIM2GPR119ESR2
SCHEMBL30646098 0.85 BUB1 (0.38) BUB1PIM1PIM2GPR119ESR2
SCHEMBL30133442 0.81 ESR2 (0.41) POLBKMT2AMEN1ESR2
SCHEMBL12654612 0.81 ESR2 (0.41) POLBKMT2AMEN1ESR2
SCHEMBL30684862 0.80 PIM1 (0.40) BUB1PIM1PIM2POLBKMT2A
SCHEMBL3400140 0.80 PIM1 (0.40) BUB1PIM1PIM2POLBKMT2A
SCHEMBL1808364 0.80 ESR2 (0.41) GPR119POLBKMT2AMEN1ESR2
SCHEMBL30168967 0.80 ESR2 (0.41) GPR119POLBKMT2AMEN1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025072539-A1 AMINO ACID COMPOUNDS WITH NITROGEN LINKERS AND USES THEREOF PLIANT THERAPEUTICS, INC. (US) 2025-04-03 WO disclosed