SCHEMBL29311693

SCHEMBL29311693

Nc1ccc(OC2CCN(C3COC3)CC2)nn1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 3/20 0.39
HRH3 Q9Y5N1 10/20 0.35
KCNH2 Q12809 1/20 0.35
ATR Q13535 2/20 0.35
BCAT2 O15382 1/20 0.33
PIK3CA P42336 2/20 0.32
MTOR P42345 2/20 0.32
RPTOR Q8N122 1/20 0.32
MLST8 Q9BVC4 1/20 0.32
TLR9 Q9NR96 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31

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
SCHEMBL29311685 0.83 MAP3K12 (0.37) MAP3K12HRH3KCNH2
SCHEMBL30986469 0.83 MAP3K12 (0.37) MAP3K12HRH3KCNH2
SCHEMBL25319182 0.80 BCAT2 (0.42) BCAT2
SCHEMBL31508269 0.78 BCAT2 (0.46) KCNH2BCAT2
SCHEMBL30986470 0.78 HRH3 (0.42) HRH3KCNH2BCAT2
SCHEMBL4029669 0.77 BCAT2 (0.40) BCAT2PIK3CA
SCHEMBL29311690 0.76 GLS (0.34) MAP3K12HRH3KCNH2
SCHEMBL17654183 0.75 GLS (0.50) HRH3
SCHEMBL31403671 0.75 BCAT2 (0.43) BCAT2
SCHEMBL4019117 0.75 MCHR1 (0.44) BCAT2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4642535-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS SIK MODULATORS F. Hoffmann-La Roche AG (CH) 2025-11-05 EP disclosed
EP-4642773-A1 NEW BENZIMIDAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2025-11-05 EP disclosed
WO-2024141443-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS SIK MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2024-07-04 WO disclosed
WO-2024141443-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS SIK MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2024-07-04 WO disclosed
WO-2024141444-A1 NEW BENZIMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2024-07-04 WO disclosed