SCHEMBL30959551

SCHEMBL30959551

FC(F)(F)c1cc2c(cnn2C2CCCCO2)c(Br)c1I

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.38
▸ RXRB P28702 1/20 0.38
▸ RXRG P48443 1/20 0.38
▸ CYP4F2 P78329 3/20 0.36
▸ CYP4A11 Q02928 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ ATR Q13535 2/20 0.33
▸ PDE9A O76083 1/20 0.31
▸ GRIN1 Q05586 1/20 0.30
▸ GRIN2B Q13224 1/20 0.30
▸ CYP2C19 P33261 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
SCHEMBL31642739 0.87 RXRA (0.39) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30959176 0.86 RXRA (0.38) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30959088 0.85 RXRA (0.37) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL29474190 0.85 CYP4F2 (0.42) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL28954100 0.85 CYP4F2 (0.42) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30959305 0.84 RXRA (0.38) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL29385672 0.84 RXRA (0.41) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL19616735 0.84 RXRA (0.41) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL24536352 0.82 CYP4F2 (0.42) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL24535803 0.82 RXRA (0.40) RXRARXRBRXRGCYP4F2CYP4A11

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 6 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-2025136346-A1 INDAZOLE CONTAINING COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2025-06-26 — — WO 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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