SCHEMBL24543191

SCHEMBL24543191

COC/C=C/C(=O)N1CCN(I)C[C@@H]1CC#N

nearest known ligand 0.38

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KRAS P01116 1/20 0.38

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
SCHEMBL22970047 0.83
SCHEMBL22969929 0.83
SCHEMBL24543198 0.83 JAK3 (0.33)
SCHEMBL24876304 0.81 KRAS (0.35) KRAS
SCHEMBL24876392 0.81 KRAS (0.35) KRAS
SCHEMBL25446258 0.80 KRAS (0.39) KRAS
SCHEMBL25066432 0.79 KRAS (0.34) KRAS
SCHEMBL22969799 0.78
SCHEMBL22969919 0.78 EGFR (0.32)
SCHEMBL24543362 0.78 KRAS (0.35) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022127827-A1 KRASG12C PROTEIN MUTATION INHIBITOR AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF 上海维申医药有限公司 2022-06-23 WO disclosed