SCHEMBL29680503

SCHEMBL29680503

CN(C)CC1(COc2nc(N3CCC[C@@](C)(O)C3)c3cnc(Cl)c(F)c3n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 20/20 0.42

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
SCHEMBL24535869 1.00 KRAS (0.42) KRAS
SCHEMBL24535940 1.00 KRAS (0.42) KRAS
SCHEMBL30868615 0.90 KRAS (0.39) KRAS
SCHEMBL24535883 0.88 KRAS (0.38) KRAS
SCHEMBL24536412 0.88 KRAS (0.38) KRAS
SCHEMBL30706614 0.88 KRAS (0.36) KRAS
SCHEMBL30707490 0.86 KRAS (0.47) KRAS
SCHEMBL25253561 0.85 KRAS (0.43) KRAS
SCHEMBL25253562 0.85 KRAS (0.43) KRAS
SCHEMBL30430356 0.85 KRAS (0.43) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4436571-A1 SMALL MOLECULE INHIBITORS OF KRAS MUTATED PROTEINS Merck Sharp & Dohme LLC (US) 2024-10-02 — — EP disclosed
EP-4262807-A1 AZAQUINAZOLINE PAN-KRAS INHIBITORS Mirati Therapeutics, Inc. (US) 2023-10-25 — — EP disclosed
WO-2023097227-A1 SMALL MOLECULE INHIBITORS OF KRAS MUTATED PROTEINS MERCK SHARP & DOHME LLC (US) 2023-06-01 — — WO disclosed
WO-2022132200-A1 AZAQUINAZOLINE PAN-KRAS INHIBITORS Mirati Therapeutics, Inc. (US) 2022-06-23 — — WO disclosed
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