SCHEMBL23282275

SCHEMBL23282275

C=CC(=O)N1CCN(c2nc(OCO)nc3c2CCN(c2cccc4cccc(C)c24)C3)C[C@@H]1CC#N

nearest known ligand 0.81

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 20/20 0.81

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
SCHEMBL23282263 0.94 KRAS (0.81) KRAS
SCHEMBL28793543 0.93 KRAS (0.79) KRAS
SCHEMBL23282234 0.93 KRAS (0.85) KRAS
SCHEMBL23282249 0.91 KRAS (0.79) KRAS
SCHEMBL23282370 0.91 KRAS (0.77) KRAS
SCHEMBL23282242 0.91 KRAS (0.85) KRAS
SCHEMBL23282388 0.91 KRAS (0.79) KRAS
SCHEMBL23285847 0.91 KRAS (0.78) KRAS
SCHEMBL22720095 0.91 KRAS (0.76) KRAS
SCHEMBL22720093 0.91 KRAS (0.76) 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-2021078285-A1 CYCLOALKYL-BASED AND HETEROCYCLOALKYL-BASED INHIBITORS, PREPARATION METHOD THEREFOR AND USE THEREOF 苏州泽璟生物制药股份有限公司 2021-04-29 — — WO disclosed
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