SCHEMBL25650689

SCHEMBL25650689

CNCCOc1nc2c(ccn2C(C)(C)c2cc3cc[nH]c3nc2SC)cc1C(C)(C)C

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
SCHEMBL25613057 0.79 KDM4E (0.39) —
SCHEMBL19441648 0.71 FEN1 (0.36) —
SCHEMBL25650687 0.70 KDR (0.31) —
SCHEMBL25650732 0.70 CHRNB4 (0.36) —
SCHEMBL25613045 0.67 ULK1 (0.39) —
SCHEMBL25613050 0.67 FEN1 (0.39) —
SCHEMBL25613335 0.67 FEN1 (0.39) —
SCHEMBL25613037 0.65 FEN1 (0.39) —
SCHEMBL25613056 0.65 KDM4E (0.39) —
SCHEMBL25613054 0.64 LTA4H (0.45) —

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-20230159527-A1 COMPOUNDS AS BCL-2 INHIBITORS FOCHON BIOSCIENCES, LTD. (CN) 2023-05-25 — — US disclosed
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