SCHEMBL19637424

SCHEMBL19637424

CCCCOc1cc(N2CCc3c(nc(O[C@H](C)CN(C)CC)nc3N(CCC)CCC)C2)c2ccccc2c1

nearest known ligand 0.45

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 4/20 0.45

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
SCHEMBL19636809 0.88 KRAS (0.58) KRAS
SCHEMBL19637431 0.81 KRAS (0.46) KRAS
SCHEMBL28500494 0.75 KRAS (0.62) KRAS
SCHEMBL19948728 0.74 KRAS (0.60) KRAS
SCHEMBL19948729 0.74 KRAS (0.60) KRAS
SCHEMBL19948676 0.73 KRAS (0.67) KRAS
SCHEMBL21846368 0.72 KRAS (0.58) KRAS
SCHEMBL22994732 0.72 KRAS (0.54) KRAS
SCHEMBL19616696 0.71 KRAS (0.60) KRAS
SCHEMBL19948035 0.71 KRAS (0.60) 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-2017201161-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2017-11-23 — — WO disclosed
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