SCHEMBL31451752

SCHEMBL31451752

CC(C)(C)OC(=O)N1C2COCC1CN(c1cc(Cl)nc(OC[C@@]34CCCN3C[C@H](F)C4)n1)C2

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 19/20 0.39
▸ MAPK3 P27361 1/20 0.37
▸ MAPK1 P28482 1/20 0.37

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
SCHEMBL31451806 0.94 KRAS (0.41) KRAS
SCHEMBL30949859 0.94 KRAS (0.41) KRAS
SCHEMBL27243616 0.84 KRAS (0.42) KRAS
SCHEMBL31451700 0.81 KRAS (0.37) KRAS
SCHEMBL29151437 0.81 KRAS (0.37) KRAS
SCHEMBL25356505 0.81 KRAS (0.42) KRAS
SCHEMBL30576899 0.81 KRAS (0.42) KRAS
SCHEMBL31451746 0.81 KRAS (0.47) KRAS
SCHEMBL31451914 0.80 KRAS (0.37) KRAS
SCHEMBL25136924 0.80 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025016899-A1 SPIROCYCLIC COMPOUNDS FOR THE TREATMENT OF CANCER BAYER AKTIENGESELLSCHAFT (DE) 2025-01-23 — — WO disclosed
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