SCHEMBL30470972

SCHEMBL30470972

C[C@H]1CCC(c2ccc3sc(C(F)(F)CN(C)C)nc3c2)=NC1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL32688952 1.00 — —
SCHEMBL24367507 1.00 — —
SCHEMBL29335687 0.87 PDE3B (0.34) —
SCHEMBL30469984 0.83 — —
SCHEMBL29081431 0.83 — —
SCHEMBL29347517 0.83 — —
SCHEMBL29082045 0.81 — —
SCHEMBL24366026 0.79 HDAC6 (0.32) —
SCHEMBL32689101 0.79 HDAC6 (0.32) —
SCHEMBL24367600 0.79 HDAC6 (0.32) —

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
EP-4188920-A1 PIPERIDIN-1-YL-N-PYRYDINE-3-YL-2-OXOACETAMIDE DERIVATIVES USEFUL FOR THE TREATMENT OF MTAP-DEFICIENT AND/OR MTA-ACCUMULATING CANCERS Tango Therapeutics, Inc. (US) 2023-06-07 — — EP disclosed
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