SCHEMBL29936989

SCHEMBL29936989

COCOc1cc(-c2c(Cl)cc3c(O)nc(OCC4(CN(C)C)CC4)nc3c2F)c2ccccc2c1

nearest known ligand 0.51

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 20/20 0.51

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
SCHEMBL30998397 0.92 KRAS (0.59) KRAS
SCHEMBL29343990 0.88 KRAS (0.54) KRAS
SCHEMBL29937296 0.86 KRAS (0.45) KRAS
SCHEMBL26724874 0.81 KRAS (0.60) KRAS
SCHEMBL29937260 0.81 KRAS (0.51) KRAS
SCHEMBL29343995 0.80 KRAS (0.62) KRAS
SCHEMBL29914132 0.80 KRAS (0.55) KRAS
SCHEMBL27426551 0.80 KRAS (0.55) KRAS
SCHEMBL29914106 0.78 KRAS (0.56) KRAS
SCHEMBL29138570 0.78 KRAS (0.56) KRAS

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-4322954-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT Merck Sharp & Dohme LLC (US) 2024-02-21 — — EP disclosed
WO-2022221739-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT MERCK SHARP & DOHME CORP. (US) 2022-10-20 — — WO disclosed
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