SCHEMBL21136700

SCHEMBL21136700

C=CC(=O)N(C)CCN1CCOc2cnc3cc(-c4c(O)cccc4F)c(Cl)cc3c21

nearest known ligand 0.59

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KRAS P01116 20/20 0.59

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
SCHEMBL21136709 0.88 KRAS (0.50) KRAS
SCHEMBL21136728 0.86 KRAS (0.58) KRAS
SCHEMBL21136708 0.84 KRAS (0.54) KRAS
SCHEMBL21136713 0.81 KRAS (0.62) KRAS
SCHEMBL21050779 0.74 KRAS (1.00) KRAS
SCHEMBL21137483 0.74 KRAS (0.49) KRAS
SCHEMBL21050855 0.74 KRAS (0.80) KRAS
SCHEMBL21137062 0.73 KRAS (0.65) KRAS
SCHEMBL21050951 0.73 KRAS (1.00) KRAS
SCHEMBL21136794 0.72 KRAS (0.50) 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-2019110751-A1 TETRACYCLIC COMPOUNDS AS INHIBITORS OF G12C MUTANT RAS PROTEIN, FOR USE AS ANTI-CANCER AGENTS ASTRAZENECA AB (SE) 2019-06-13 WO disclosed