SCHEMBL30189148

SCHEMBL30189148

C=CC(=O)N1CCN(c2nc(OCCCN3CCN(C(C)=O)CC3)nc3c2CCN(c2cc(O)cc4ccccc24)C3)CC1

nearest known ligand 0.78

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 20/20 0.78

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
SCHEMBL19637062 1.00 KRAS (0.78) KRAS
SCHEMBL19637200 0.96 KRAS (0.78) KRAS
SCHEMBL19959200 0.95 KRAS (0.77) KRAS
SCHEMBL19616755 0.95 KRAS (0.79) KRAS
SCHEMBL19636775 0.94 KRAS (0.79) KRAS
SCHEMBL19637199 0.93 KRAS (0.78) KRAS
SCHEMBL19959187 0.93 KRAS (0.78) KRAS
SCHEMBL19637144 0.92 KRAS (0.76) KRAS
SCHEMBL19616802 0.91 KRAS (0.65) KRAS
SCHEMBL19636773 0.91 KRAS (0.75) 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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