SCHEMBL31727221

SCHEMBL31727221

CC(OS(C)(=O)=O)c1ccc(NC(=O)OC(C)(C)C)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.41
▸ GSK3B P49841 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ F13A1 P00488 1/20 0.38
▸ TGM2 P21980 1/20 0.38
▸ TGM1 P22735 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ GRIN2B Q13224 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ DEGS1 O15121 2/20 0.36
▸ BCL2 P10415 1/20 0.36
▸ CYP17A1 P05093 1/20 0.36
▸ PTGER1 P34995 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ TRPA1 O75762 1/20 0.35
▸ ATR Q13535 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 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
SCHEMBL28283738 0.85 NAMPT (0.39) NAMPTGSK3BDYRK1AF13A1TGM2
SCHEMBL22606745 0.83 DEGS1 (0.48) NAMPTGSK3BDYRK1AF13A1TGM2
SCHEMBL30506468 0.83 DEGS1 (0.48) NAMPTGSK3BDYRK1AF13A1TGM2
SCHEMBL31726922 0.82 MAPK1 (0.43) NAMPTGSK3BDYRK1AF13A1TGM2
SCHEMBL28071467 0.81 GSK3B (0.41) NAMPTGSK3BDYRK1AF13A1TGM2
SCHEMBL16296314 0.81 GSK3B (0.41) NAMPTGSK3BDYRK1AF13A1TGM2
SCHEMBL24738966 0.80 GSK3B (0.43) NAMPTGSK3BDYRK1AF13A1TGM2
SCHEMBL27946209 0.80 MAPK1 (0.42) NAMPTGSK3BDYRK1AF13A1TGM2
SCHEMBL3328875 0.74 NAMPT (0.48) NAMPTGSK3BDYRK1AF13A1TGM2
SCHEMBL1126313 0.74 NAMPT (0.50) NAMPTGSK3BDYRK1AF13A1TGM2

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-2025235363-A1 CYCLIN-DEPENDENT KINASE 4 DEGRADERS BLUEPRINT MEDICINES CORPORATION (US) 2025-11-13 — — WO disclosed
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