SCHEMBL29931663

SCHEMBL29931663

CC(C)(C)OC(=O)Nc1cc(Cl)nc(N2CCN(C(=O)O)CC2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.42
PTPN11 Q06124 1/20 0.41
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
BACE1 P56817 1/20 0.36
NPY2R P49146 2/20 0.36
SLC2A1 P11166 1/20 0.35
PHGDH O43175 1/20 0.35
TLR9 Q9NR96 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CKS1B P61024 1/20 0.34
SKP1 P63208 1/20 0.34
SKP2 Q13309 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL30718184 0.91 ACHE (0.49) ACHEPTPN11DDB1CRBNBACE1
SCHEMBL27029481 0.91 ACHE (0.49) ACHEPTPN11DDB1CRBNBACE1
SCHEMBL5636609 0.78 MEN1 (0.48) MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL24851896 0.77 GPR119 (0.50) ACHEPTPN11BACE1MEN1KMT2A
SCHEMBL29931648 0.77 PIK3CA (0.44) ACHEPTPN11GSK3BDYRK1A
SCHEMBL27931713 0.75 NPY2R (0.48) NPY2RMEN1KMT2AMAPT
SCHEMBL18153366 0.74 MAPT (0.51) MAPTSMN1; SMN2
SCHEMBL21815386 0.74 GBA1 (0.51) MEN1KMT2AMAPT
SCHEMBL18162439 0.74 ACHE (0.47) ACHEPTPN11DDB1CRBNMEN1
SCHEMBL16147173 0.74 ATR (0.45) GSK3BDYRK1A

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-2022194248-A1 CTLA-4 SMALL MOLECULE DEGRADATION AGENT AND APPLICATION THEREOF 苏州国匡医药科技有限公司 2022-09-22 WO disclosed