SCHEMBL21136857

SCHEMBL21136857

C=CC(=O)N1CCN2c3c(cnc4cc(-c5c(C)ccc6[nH]ncc56)c(Cl)cc34)OCC2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KRAS P01116 20/20 1.00

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
SCHEMBL21050664 1.00 KRAS (1.00) KRAS
SCHEMBL21050656 1.00 KRAS (1.00) KRAS
SCHEMBL21050884 0.92 KRAS (0.85) KRAS
SCHEMBL21050813 0.92 KRAS (0.85) KRAS
SCHEMBL21050727 0.90 KRAS (0.81) KRAS
SCHEMBL21099996 0.88 KRAS (0.79) KRAS
SCHEMBL21099360 0.88 KRAS (0.79) KRAS
SCHEMBL21099637 0.88 KRAS (0.79) KRAS
SCHEMBL21050726 0.87 KRAS (0.78) KRAS
SCHEMBL21050648 0.86 KRAS (0.76) 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