SCHEMBL31451719

SCHEMBL31451719

CC(=O)NC1CCN(c2cc(Cl)nc(OC[C@@]34CCCN3C[C@H](F)C4)n2)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
SCHEMBL31451746 0.88 KRAS (0.47) KRAS
SCHEMBL27243616 0.82 KRAS (0.42) KRAS
SCHEMBL31451806 0.80 KRAS (0.41) KRAS
SCHEMBL30949859 0.80 KRAS (0.41) KRAS
SCHEMBL31340154 0.80 KRAS (0.48) KRAS
SCHEMBL31451662 0.79 KRAS (0.43) KRAS
SCHEMBL31451848 0.78 KRAS (0.40) KRAS
SCHEMBL31451729 0.77 KRAS (0.41) KRAS
SCHEMBL31451752 0.77 KRAS (0.39) KRAS
SCHEMBL31451569 0.76 KRAS (0.51) 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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