SCHEMBL30430356

SCHEMBL30430356

CN(C)CC1(COc2nc(N3CCCC(C)(O)C3)c3ccc(Br)c(F)c3n2)CC1

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 19/20 0.43
▸ CNR2 P34972 1/20 0.33

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
SCHEMBL25253561 1.00 KRAS (0.43) KRASCNR2
SCHEMBL25253562 1.00 KRAS (0.43) KRASCNR2
SCHEMBL29281585 0.91 KRAS (0.37) KRASCNR2
SCHEMBL29281581 0.91 KRAS (0.37) KRASCNR2
SCHEMBL25334910 0.89 KRAS (0.41) KRASCNR2
SCHEMBL25371293 0.89 KRAS (0.45) KRAS
SCHEMBL25338764 0.87 KRAS (0.47) KRAS
SCHEMBL25209790 0.87 KRAS (0.47) KRAS
SCHEMBL25438046 0.86 KRAS (0.46) KRAS
SCHEMBL24535869 0.85 KRAS (0.42) 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-4436571-A1 SMALL MOLECULE INHIBITORS OF KRAS MUTATED PROTEINS Merck Sharp & Dohme LLC (US) 2024-10-02 — — EP disclosed
WO-2023097227-A1 SMALL MOLECULE INHIBITORS OF KRAS MUTATED PROTEINS MERCK SHARP & DOHME LLC (US) 2023-06-01 — — WO disclosed
Send feedback