SCHEMBL21137066

SCHEMBL21137066

C=CC(=O)N1CCN2c3c(cnc4c3cc(Cl)c3c4oc4cccc(F)c43)N(C)C(=O)C2C1

nearest known ligand 0.70

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KRAS P01116 20/20 0.70

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
SCHEMBL21050632 0.82 KRAS (1.00) KRAS
SCHEMBL21050714 0.82 KRAS (1.00) KRAS
SCHEMBL21050687 0.81 KRAS (0.91) KRAS
SCHEMBL21050658 0.80 KRAS (0.83) KRAS
SCHEMBL21099395 0.80 KRAS (0.83) KRAS
SCHEMBL21050631 0.80 KRAS (0.83) KRAS
SCHEMBL21050697 0.79 KRAS (0.89) KRAS
SCHEMBL21050693 0.79 KRAS (1.00) KRAS
SCHEMBL21136668 0.79 KRAS (1.00) KRAS
SCHEMBL21050678 0.79 KRAS (1.00) 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