SCHEMBL29796818

SCHEMBL29796818

C#CCC(C)(C)c1nnc(-c2cc3c(cc2F)SC[C@H](NC(=O)OC(C)(C)C)C(=O)N3)o1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.32

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
SCHEMBL26961708 1.00 GAA (0.32) GAA
SCHEMBL26961690 0.91 GAA (0.36) GAA
SCHEMBL29796810 0.91 GAA (0.36) GAA
SCHEMBL31375493 0.88 GAA (0.34) GAA
SCHEMBL26962195 0.87 GAA (0.35) GAA
SCHEMBL30830363 0.85 GAA (0.34) GAA
SCHEMBL29270739 0.80 — —
SCHEMBL29796777 0.78 SRC (0.35) —
SCHEMBL26962099 0.77 GAA (0.44) GAA
SCHEMBL29797169 0.77 GAA (0.37) GAA

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
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