SCHEMBL25020033

SCHEMBL25020033

C=CC(=O)N1CCN(c2nc(OCCCN3CCOCC3)nc3c2CCN(c2cccc4cccc(C)c24)C3)CC1

nearest known ligand 0.55

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 20/20 0.55

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
SCHEMBL22360836 0.91 KRAS (0.54) KRAS
SCHEMBL21005684 0.91 KRAS (0.48) KRAS
SCHEMBL25021059 0.91 KRAS (0.54) KRAS
SCHEMBL19948987 0.87 KRAS (0.74) KRAS
SCHEMBL19948988 0.87 KRAS (0.74) KRAS
SCHEMBL21005636 0.86 KRAS (0.53) KRAS
SCHEMBL19616516 0.86 KRAS (0.59) KRAS
SCHEMBL21005311 0.85 KRAS (0.48) KRAS
SCHEMBL19617176 0.85 KRAS (0.59) KRAS
SCHEMBL19959320 0.85 KRAS (0.54) 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
EP-3710439-B1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2023-02-15 — — EP disclosed
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