SCHEMBL29796869

SCHEMBL29796869

CC(C)(C)OC(=O)N[C@H]1CSc2cc(F)c(-c3nnc(C45CC(CN(C(=O)OC(C)(C)C)C4)C5)o3)cc2N(Cc2ccc(Cl)cc2)C1=O

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.30
▸ MAPT P10636 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
SCHEMBL26961683 1.00 POLB (0.30) POLBMAPT
SCHEMBL26962155 0.89 BDKRB1 (0.35) POLBMAPT
SCHEMBL29796832 0.89 BDKRB1 (0.35) POLBMAPT
SCHEMBL30767621 0.89 ENPP2 (0.30) —
SCHEMBL26961832 0.88 NPY1R (0.31) —
SCHEMBL29797032 0.83 ABHD6 (0.33) —
SCHEMBL26961815 0.83 ABHD6 (0.33) —
SCHEMBL29796949 0.83 POLB (0.35) POLBMAPT
SCHEMBL29796826 0.83 POLB (0.35) POLBMAPT
SCHEMBL26961878 0.83 POLB (0.35) POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4291558-A1 BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2023-12-20 — — EP disclosed
WO-2022171745-A1 BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2022-08-18 — — WO disclosed
Send feedback