SCHEMBL31451475

SCHEMBL31451475

N#Cc1c(N)sc2c1C1(CCC2)CN(c2cc(N3CCCC(F)(F)C3)nc(OC[C@@]34CCCN3C[C@H](F)C4)n2)C1

nearest known ligand 0.46

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 20/20 0.46

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
SCHEMBL31451734 0.94 KRAS (0.45) KRAS
SCHEMBL31451787 0.92 KRAS (0.45) KRAS
SCHEMBL31451753 0.91 KRAS (0.43) KRAS
SCHEMBL31451771 0.89 KRAS (0.53) KRAS
SCHEMBL31451730 0.88 KRAS (0.43) KRAS
SCHEMBL31451622 0.88 KRAS (0.42) KRAS
Formic Acid SCHEMBL31451823 0.86 KRAS (0.42) KRAS
SCHEMBL31451798 0.86 KRAS (0.41) KRAS
SCHEMBL31451817 0.86 KRAS (0.41) KRAS
SCHEMBL31451520 0.86 KRAS (0.53) 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
WO-2025016899-A1 SPIROCYCLIC COMPOUNDS FOR THE TREATMENT OF CANCER BAYER AKTIENGESELLSCHAFT (DE) 2025-01-23 — — WO claimed
WO-2025016899-A1 SPIROCYCLIC COMPOUNDS FOR THE TREATMENT OF CANCER BAYER AKTIENGESELLSCHAFT (DE) 2025-01-23 — — WO disclosed
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