SCHEMBL30959464

SCHEMBL30959464

Cc1cc2c(cnn2C2CCCCO2)c(Br)c1OC(F)F

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 2/20 0.39
▸ CYP4A11 Q02928 2/20 0.39
▸ ATR Q13535 6/20 0.37
▸ RXRA P19793 1/20 0.36
▸ RXRB P28702 1/20 0.36
▸ RXRG P48443 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ RET P07949 2/20 0.33
▸ PDE1A P54750 2/20 0.31
▸ PDE1B Q01064 2/20 0.31
▸ PDE1C Q14123 2/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ PRKDC P78527 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL31196038 0.87 CYP4F2 (0.39) CYP4F2CYP4A11ATRRXRARXRB
SCHEMBL31527053 0.85 CYP4F2 (0.39) CYP4F2CYP4A11ATRRXRARXRB
SCHEMBL31527135 0.85 CYP4F2 (0.39) CYP4F2CYP4A11ATRRXRARXRB
SCHEMBL30959467 0.84 CYP4F2 (0.41) CYP4F2CYP4A11ATRRXRARXRB
SCHEMBL29344297 0.84 CYP4F2 (0.40) CYP4F2CYP4A11ATRRXRARXRB
SCHEMBL29344289 0.83 CYP4F2 (0.37) CYP4F2CYP4A11ATRRXRARXRB
SCHEMBL21195793 0.83 CYP4F2 (0.45) CYP4F2CYP4A11ATRRXRARXRB
SCHEMBL31527476 0.82 CYP4F2 (0.39) CYP4F2CYP4A11ATRRXRARXRB
SCHEMBL19948345 0.82 CYP4F2 (0.44) CYP4F2CYP4A11ATRRXRARXRB
SCHEMBL24536348 0.81 ALDH1A1 (0.44) CYP4F2CYP4A11ATRRXRARXRB

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-4709371-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT Merck Sharp & Dohme LLC (US) 2026-03-18 — — EP disclosed
EP-4615847-A1 SMALL MOLECULE INHIBITORS OF KRAS PROTEINS Merck Sharp & Dohme LLC (US) 2025-09-17 — — EP disclosed
WO-2025076523-A1 RAS INHIBITORS AND METHODS OF USE THEREOF KESTREL THERAPEUTICS, INC. (US) 2025-04-10 — — WO disclosed
WO-2024233776-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT MERCK SHARP & DOHME LLC (US) 2024-11-14 — — WO disclosed
WO-2024103010-A1 SMALL MOLECULE INHIBITORS OF KRAS PROTEINS MERCK SHARP & DOHME LLC (US) 2024-05-16 — — WO disclosed
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