SCHEMBL22087290

SCHEMBL22087290

C=CC1CCc2c(nc(OCC3CCCN3C)nc2N(CCC)CC(C)CC#N)C1

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 19/20 0.36

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
SCHEMBL21912130 1.00 KRAS (0.36) KRAS
SCHEMBL21912768 0.82 — —
SCHEMBL21896256 0.79 — —
SCHEMBL19637242 0.78 KRAS (0.55) KRAS
SCHEMBL22087714 0.78 KRAS (0.47) KRAS
SCHEMBL25021032 0.77 — —
SCHEMBL25020775 0.71 — —
SCHEMBL22725375 0.71 — —
SCHEMBL21912169 0.71 — —
SCHEMBL25021700 0.68 — —

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-2020118066-A1 COMBINATION THERAPIES Mirati Therapeutics, Inc. (US) 2020-06-11 — — WO disclosed
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