SCHEMBL29888024

SCHEMBL29888024

CC(C)(C)OC(=O)N1CCC(C(OS(C)(=O)=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1=O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HSD17B10 Q99714 1/20 0.36
NR1H2 P55055 2/20 0.36
NR1H3 Q13133 2/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
NPC1 O15118 1/20 0.35
UCHL1 P09936 1/20 0.35
HCRTR2 O43614 1/20 0.35
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL29888051 1.00 MEN1 (0.38) MEN1KMT2AHSD17B10NR1H2NR1H3
SCHEMBL24569510 0.83 PDE4A (0.42) MEN1KMT2AHSD17B10PDE4APDE4B
SCHEMBL29888033 0.83 PDE4A (0.42) MEN1KMT2AHSD17B10PDE4APDE4B
SCHEMBL24569508 0.83 PDE4A (0.42) MEN1KMT2AHSD17B10PDE4APDE4B
SCHEMBL29887877 0.81 GPR119 (0.38) NR1H2PDE4APDE4BPDE4CPDE4D
SCHEMBL29504630 0.74 NR1H3 (0.40) MEN1KMT2AHSD17B10NR1H2NR1H3
SCHEMBL24569886 0.71 PDE4A (0.33) PDE4APDE4BPDE4CPDE4D
SCHEMBL27193620 0.71 KDM1A (0.33) PDE4APDE4BPDE4CPDE4D
SCHEMBL31556668 0.71 PDE4A (0.43) MEN1KMT2AHSD17B10PDE4APDE4B
SCHEMBL9387477 0.70 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DNPC1

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-4267137-A1 LACTAM (HETERO)ARYLFUSEDPYRIMIDINE DERIVATIVES AS INHIBITORS OF ERBB2 Enliven Inc. (US) 2023-11-01 EP disclosed
WO-2022140769-A1 LACTAM (HETERO)ARYLFUSEDPYRIMIDINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN THERAPEUTICS, INC. (US) 2022-06-30 WO disclosed