SCHEMBL19637307

SCHEMBL19637307

C=CC(=O)N1CCN(c2nc(OCCCN3CCOCC3)nc3c2CCN(c2c(C)c(C)cc4ccccc24)C3)CC1

nearest known ligand 0.58

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 20/20 0.58

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
SCHEMBL19637308 0.94 KRAS (0.60) KRAS
SCHEMBL19637302 0.93 KRAS (0.56) KRAS
SCHEMBL19637327 0.89 KRAS (0.56) KRAS
SCHEMBL30188995 0.89 KRAS (0.56) KRAS
SCHEMBL30188858 0.88 KRAS (0.58) KRAS
SCHEMBL19637181 0.88 KRAS (0.58) KRAS
SCHEMBL19959214 0.87 KRAS (0.61) KRAS
SCHEMBL19637144 0.86 KRAS (0.76) KRAS
SCHEMBL19637154 0.85 KRAS (0.64) KRAS
SCHEMBL19617176 0.84 KRAS (0.59) 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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