SCHEMBL22994800

SCHEMBL22994800

C=CC(=O)N1CCN(c2nc(OCCN3CCOC3)nc3c2CCN(c2cc(O)cc4ccccc24)C3)CC1

nearest known ligand 0.74

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 20/20 0.74

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
SCHEMBL19636799 0.96 KRAS (0.76) KRAS
SCHEMBL19637144 0.92 KRAS (0.76) KRAS
SCHEMBL19637053 0.92 KRAS (0.75) KRAS
SCHEMBL19636791 0.91 KRAS (0.79) KRAS
SCHEMBL19617301 0.90 KRAS (0.73) KRAS
SCHEMBL19637121 0.90 KRAS (0.78) KRAS
SCHEMBL30189043 0.90 KRAS (0.78) KRAS
SCHEMBL19637200 0.89 KRAS (0.78) KRAS
SCHEMBL19637065 0.88 KRAS (0.75) KRAS
SCHEMBL19617214 0.88 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-3458445-B1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2021-02-17 — — EP disclosed
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