SCHEMBL21136778

SCHEMBL21136778

Cc1ccc2[nH]ncc2c1-c1c(Cl)cc2c3c(cnc2c1F)N(C)C(=O)[C@H]1CN(C)CCN31

nearest known ligand 0.54

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KRAS P01116 20/20 0.54

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
SCHEMBL21050981 0.90 KRAS (0.59) KRAS
SCHEMBL21050768 0.89 KRAS (0.48) KRAS
SCHEMBL21050700 0.89 KRAS (0.71) KRAS
SCHEMBL21099304 0.87 KRAS (0.55) KRAS
SCHEMBL21050680 0.77 KRAS (0.71) KRAS
SCHEMBL21050949 0.77 KRAS (0.48) KRAS
SCHEMBL21136777 0.75 KRAS (0.41) KRAS
SCHEMBL21050900 0.74 KRAS (0.47) KRAS
SCHEMBL21050705 0.73 KRAS (0.62) KRAS
SCHEMBL21050873 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-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