SCHEMBL21136792

SCHEMBL21136792

C=CC(=O)N1CCN2c3c(cnc4cc(-c5c(C)ccc(N)c5C=N)c(Cl)cc34)N(CCN(C)C)C[C@H]2C1

nearest known ligand 0.55

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KRAS P01116 20/20 0.55

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
SCHEMBL21050847 0.86 KRAS (0.69) KRAS
SCHEMBL21050855 0.83 KRAS (0.80) KRAS
SCHEMBL21050925 0.78 KRAS (0.58) KRAS
SCHEMBL21099346 0.75 KRAS (0.55) KRAS
SCHEMBL21050719 0.75 KRAS (0.68) KRAS
SCHEMBL21050747 0.73 KRAS (0.43) KRAS
SCHEMBL21137354 0.72 KRAS (0.59) KRAS
SCHEMBL21099329 0.72 KRAS (0.63) KRAS
SCHEMBL21050646 0.71 KRAS (1.00) KRAS
SCHEMBL21050828 0.71 KRAS (0.49) 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