SCHEMBL31451753

SCHEMBL31451753

C[C@@]1(O)CCCN(c2cc(N3CC4(CCCc5sc(N)c(C#N)c54)C3)nc(OC[C@@]34CCCN3C[C@H](F)C4)n2)C1

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 20/20 0.43
▸ SOS1 Q07889 1/20 0.34

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
SCHEMBL31451730 0.97 KRAS (0.43) KRASSOS1
SCHEMBL31451475 0.91 KRAS (0.46) KRAS
SCHEMBL31451758 0.91 KRAS (0.44) KRASSOS1
SCHEMBL31451787 0.91 KRAS (0.45) KRAS
SCHEMBL31451740 0.91 KRAS (0.38) KRASSOS1
SCHEMBL31451734 0.90 KRAS (0.45) KRASSOS1
SCHEMBL31451673 0.90 KRAS (0.43) KRASSOS1
SCHEMBL31451742 0.90 KRAS (0.45) KRAS
SCHEMBL31451771 0.88 KRAS (0.53) KRAS
SCHEMBL31451622 0.86 KRAS (0.42) KRASSOS1

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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