SCHEMBL22087711

SCHEMBL22087711

C=CC[C@@H](CCCC)COc1nc2c(c(N(CCC)CC(C)CC#N)n1)CCN(c1ccc(F)c3ccccc13)C2

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 8/20 0.34

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
SCHEMBL21846279 0.89 KRAS (0.36) KRAS
SCHEMBL21896256 0.78 — —
SCHEMBL25021702 0.78 — —
SCHEMBL21912184 0.77 — —
SCHEMBL21895551 0.76 KRAS (0.33) KRAS
SCHEMBL21846371 0.72 KRAS (0.40) KRAS
SCHEMBL22087303 0.71 KRAS (0.33) KRAS
SCHEMBL25020009 0.71 — —
SCHEMBL21912768 0.70 — —
SCHEMBL19637187 0.70 — —

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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