SCHEMBL30188667

SCHEMBL30188667

C=CC(=O)N1CCN(c2nc(OCCCN3CCOCC3)nc3c2CCN(c2cc(OC)cc4cc(C)ccc24)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
SCHEMBL19948048 1.00 KRAS (0.55) KRAS
SCHEMBL19637087 0.92 KRAS (0.66) KRAS
SCHEMBL30188788 0.92 KRAS (0.66) KRAS
SCHEMBL22994740 0.89 KRAS (0.62) KRAS
SCHEMBL19948236 0.88 KRAS (0.49) KRAS
SCHEMBL19617239 0.88 KRAS (0.42) KRAS
SCHEMBL19617603 0.87 KRAS (0.46) KRAS
SCHEMBL30188736 0.87 KRAS (0.46) KRAS
SCHEMBL19617732 0.87 TLR9 (0.40) KRAS
SCHEMBL19959170 0.85 KRAS (0.68) 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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