SCHEMBL21846279

SCHEMBL21846279

C=CC[C@@H](CCCC)COc1nc2c(c(N(CCC)CC(C)CC#N)n1)CCN(c1cccc3cc(F)ccc13)C2

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 16/20 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
SCHEMBL22087711 0.89 KRAS (0.34) KRAS
SCHEMBL21895551 0.83 KRAS (0.33) KRAS
SCHEMBL19637410 0.76 KRAS (0.37) KRAS
SCHEMBL25021702 0.76 — —
SCHEMBL21896256 0.76 — —
SCHEMBL21912184 0.75 — —
SCHEMBL21846371 0.74 KRAS (0.40) KRAS
SCHEMBL19637242 0.74 KRAS (0.55) KRAS
SCHEMBL22087303 0.70 KRAS (0.33) KRAS
SCHEMBL25020009 0.69 — —

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-2020055760-A1 COMBINATION THERAPIES Mirati Therapeutics, Inc. (US) 2020-03-19 — — WO disclosed
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