SCHEMBL21136713

SCHEMBL21136713

C=CC(=O)N(C)CCN1CCOc2cnc3cc(-c4c(C)ccc5[nH]ncc45)c(Cl)cc3c21

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KRAS P01116 19/20 0.62
CREBBP Q92793 1/20 0.39

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
SCHEMBL21136753 0.83 KRAS (0.56) KRASCREBBP
SCHEMBL21099636 0.81 KRAS (0.47) KRAS
SCHEMBL21136700 0.81 KRAS (0.59) KRAS
SCHEMBL21050656 0.75 KRAS (1.00) KRAS
SCHEMBL21136857 0.75 KRAS (1.00) KRAS
SCHEMBL21050664 0.75 KRAS (1.00) KRAS
SCHEMBL21050847 0.74 KRAS (0.69) KRAS
SCHEMBL21137311 0.74 KRAS (0.43) KRAS
SCHEMBL21050884 0.71 KRAS (0.85) KRAS
SCHEMBL21050813 0.71 KRAS (0.85) 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