SCHEMBL30188853

SCHEMBL30188853

C=CC(=O)N1CCN(c2nc(OCCCN3CCC(OC)C3)nc3c2CCN(c2cc(O)cc4ccccc24)C3)CC1

nearest known ligand 0.73

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 20/20 0.73

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
SCHEMBL19637273 1.00 KRAS (0.73) KRAS
SCHEMBL19636782 0.97 KRAS (0.73) KRAS
SCHEMBL19637068 0.94 KRAS (0.72) KRAS
SCHEMBL30189133 0.94 KRAS (0.72) KRAS
SCHEMBL19637211 0.94 KRAS (0.72) KRAS
SCHEMBL19617378 0.94 KRAS (0.72) KRAS
SCHEMBL19637304 0.93 KRAS (0.74) KRAS
SCHEMBL19636797 0.93 KRAS (0.75) KRAS
SCHEMBL19964334 0.92 KRAS (0.73) KRAS
SCHEMBL19617431 0.90 KRAS (0.59) 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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