SCHEMBL29936949

SCHEMBL29936949

Oc1nc(OC[C@@]23CCCN2C[C@H](F)C3)nc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 20/20 0.49

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
SCHEMBL30704160 0.87 KRAS (0.48) KRAS
SCHEMBL30825596 0.85 KRAS (0.51) KRAS
SCHEMBL30686958 0.84 KRAS (0.37) KRAS
SCHEMBL29936938 0.82 KRAS (0.47) KRAS
SCHEMBL30560665 0.82 KRAS (0.60) KRAS
SCHEMBL30998741 0.81 KRAS (0.51) KRAS
SCHEMBL29937188 0.80 KRAS (0.50) KRAS
Bromide SCHEMBL30922840 0.80 KRAS (0.52) KRAS
SCHEMBL31691620 0.79 KRAS (0.51) KRAS
SCHEMBL29937324 0.79 KRAS (0.44) 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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