SCHEMBL29246196

SCHEMBL29246196

C=CC(=O)N1CCN(c2nc(OC[C@@H]3CCCN3C)nc3c2CCN(c2cc(O)cc4ccccc24)C3)CC1.C=CC(=O)N1CCN(c2nc(OC[C@@H]3CCCN3C)nc3c2CCN(c2cc(OCOC)cc4ccccc24)C3)CC1

nearest known ligand 0.89

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 20/20 0.89

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
SCHEMBL29246197 1.00 KRAS (0.89) KRAS
SCHEMBL19947671 0.97 KRAS (0.83) KRAS
SCHEMBL19637253 0.97 KRAS (0.83) KRAS
SCHEMBL19617582 0.94 KRAS (1.00) KRAS
SCHEMBL30230433 0.94 KRAS (1.00) KRAS
SCHEMBL19637224 0.94 KRAS (1.00) KRAS
SCHEMBL19637155 0.94 KRAS (1.00) KRAS
SCHEMBL30189166 0.94 KRAS (1.00) KRAS
SCHEMBL19636921 0.92 KRAS (0.96) KRAS
SCHEMBL19637323 0.92 KRAS (0.96) 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
CN-111989321-B KRAS G12C inhibitors 米拉蒂治疗股份有限公司 2024-05-14 — — CN disclosed
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