SCHEMBL31451739

SCHEMBL31451739

CC(C)(C)OC(=O)N1CCC2(CCN2c2cc(N3CC4(CCCc5sc(N)c(C#N)c54)C3)nc(OC[C@@]34CCCN3C[C@H](F)C4)n2)C1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 19/20 0.38
▸ SOS1 Q07889 3/20 0.34
▸ AXL P30530 1/20 0.31

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
SCHEMBL31451785 0.93 KRAS (0.39) KRASSOS1AXL
SCHEMBL31451679 0.88 KRAS (0.40) KRASSOS1
SCHEMBL31451727 0.87 KRAS (0.38) KRASSOS1
SCHEMBL31451798 0.85 KRAS (0.41) KRASSOS1
SCHEMBL31451817 0.85 KRAS (0.41) KRASSOS1
SCHEMBL31451838 0.85 KRAS (0.40) KRASSOS1
SCHEMBL31451787 0.84 KRAS (0.45) KRASAXL
SCHEMBL31451734 0.84 KRAS (0.45) KRASSOS1
SCHEMBL31451753 0.83 KRAS (0.43) KRASSOS1
SCHEMBL31451475 0.83 KRAS (0.46) 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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