SCHEMBL29951804

SCHEMBL29951804

CC(C)(C)OC(=O)n1cc(B(O)O)c2ccncc21

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
PIM1 P11309 1/20 0.39
MARK3 P27448 1/20 0.39
MAP4K2 Q12851 1/20 0.39
CAMK2B Q13554 1/20 0.39
PIM3 Q86V86 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
ELANE P08246 2/20 0.39
GPR119 Q8TDV5 9/20 0.38
HTR6 P50406 1/20 0.37
BCHE P06276 1/20 0.36
GBA1 P04062 1/20 0.35

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
SCHEMBL661642 1.00 L3MBTL1 (0.41) L3MBTL1PIM1MARK3MAP4K2CAMK2B
SCHEMBL29955151 0.90 L3MBTL1 (0.44) L3MBTL1PIM1MARK3MAP4K2CAMK2B
SCHEMBL3228084 0.84 L3MBTL1 (0.43) L3MBTL1PIM1MARK3MAP4K2CAMK2B
SCHEMBL13079977 0.83 MEN1 (0.41) L3MBTL1PIM1MARK3MAP4K2CAMK2B
SCHEMBL30940053 0.83 MEN1 (0.41) L3MBTL1PIM1MARK3MAP4K2CAMK2B
SCHEMBL31330259 0.83 PIM1 (0.40) L3MBTL1PIM1MARK3MAP4K2CAMK2B
SCHEMBL3755156 0.83 PIM1 (0.40) L3MBTL1PIM1MARK3MAP4K2CAMK2B
SCHEMBL31407790 0.83 PIM1 (0.40) L3MBTL1PIM1MARK3MAP4K2CAMK2B
SCHEMBL2112349 0.83 PIM1 (0.40) L3MBTL1PIM1MARK3MAP4K2CAMK2B
SCHEMBL29377863 0.81 L3MBTL1 (0.60) L3MBTL1PIM1MARK3MAP4K2CAMK2B

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed