SCHEMBL25020030

SCHEMBL25020030

C=CC(=O)N1CCN(c2nc(OC)nc3c2CCN(c2cccc(C)c2C)C3)CC1

nearest known ligand 0.56

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 20/20 0.56

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
SCHEMBL25020739 0.92 KRAS (0.55) KRAS
SCHEMBL25020049 0.91 KRAS (0.54) KRAS
SCHEMBL25019983 0.91 KRAS (0.54) KRAS
SCHEMBL21846414 0.91 KRAS (0.56) KRAS
SCHEMBL25020791 0.91 KRAS (0.54) KRAS
SCHEMBL22010331 0.90 KRAS (0.47) KRAS
SCHEMBL22010611 0.90 KRAS (0.47) KRAS
SCHEMBL22725400 0.90 KRAS (0.57) KRAS
SCHEMBL25021744 0.89 KRAS (0.52) KRAS
SCHEMBL22010434 0.88 KRAS (0.47) 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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