SCHEMBL25826908

SCHEMBL25826908

CN(CCOCc1nn(C)cc1B(O)O)C(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 1/20 0.33
KAT5 Q92993 1/20 0.33
PDK2 Q15119 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
AAK1 Q2M2I8 1/20 0.32
GBA1 P04062 1/20 0.32
HTR2C P28335 1/20 0.31
SLC6A4 P31645 1/20 0.31
CCNE2 O96020 1/20 0.30
CCNE1 P24864 1/20 0.30
CDK2 P24941 1/20 0.30

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
SCHEMBL31465653 0.85 SSTR4 (0.34) KAT6AKAT5PDK2L3MBTL1AAK1
SCHEMBL25426028 0.80
SCHEMBL25426032 0.80
SCHEMBL25427198 0.74 MEN1 (0.37) KAT6AKAT5PDK2L3MBTL1AAK1
SCHEMBL31440019 0.73 KAT6A (0.43) KAT6AKAT5PDK2L3MBTL1AAK1
SCHEMBL38664281 0.71 PDK2 (0.39) KAT6AKAT5PDK2AAK1HTR2C
SCHEMBL25345280 0.70 PDK2 (0.34) KAT6AKAT5PDK2L3MBTL1AAK1
SCHEMBL29385268 0.69 HTR2C (0.39) AAK1GBA1HTR2CSLC6A4
SCHEMBL22276510 0.69 PDK2 (0.40) PDK2L3MBTL1AAK1GBA1
SCHEMBL22276649 0.69 PDK2 (0.40) PDK2L3MBTL1AAK1GBA1

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-2023133375-A1 MACROCYCLIC COMPOUNDS AND USE AS KINASE INHIBITORS BLOSSOMHILL THERAPEUTICS, INC. (US) 2023-07-13 WO disclosed