SCHEMBL22220514

SCHEMBL22220514

CN1CCC[C@H]1COc1nc(N2CCN(C)[C@@H](CC#N)C2)c2cnc(-c3cncc4cccc(Cl)c34)c(F)c2n1

nearest known ligand 0.76

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 20/20 0.76

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
SCHEMBL22220708 0.94 KRAS (0.75) KRAS
SCHEMBL22555139 0.93 KRAS (0.69) KRAS
SCHEMBL22555042 0.93 KRAS (0.69) KRAS
SCHEMBL30065080 0.90 KRAS (0.66) KRAS
SCHEMBL22220048 0.90 KRAS (0.66) KRAS
SCHEMBL22555141 0.90 KRAS (0.66) KRAS
SCHEMBL22220551 0.90 KRAS (0.66) KRAS
SCHEMBL22554983 0.90 KRAS (0.74) KRAS
SCHEMBL22586660 0.90 KRAS (0.66) KRAS
SCHEMBL30070957 0.90 KRAS (0.66) 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
WO-2020146613-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2020-07-16 — — WO disclosed
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