SCHEMBL30717282

SCHEMBL30717282

CN1CCC[C@H]1COc1nc(N2C3CC2CN(C(=O)OC(C)(C)C)C3)c2cc(Cl)c(-c3cc(O)cc4ccccc34)c(F)c2n1

nearest known ligand 0.60

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KRAS P01116 20/20 0.60

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
SCHEMBL29940077 1.00 KRAS (0.60) KRAS
SCHEMBL30686964 0.94 KRAS (0.59) KRAS
SCHEMBL27426474 0.94 KRAS (0.59) KRAS
SCHEMBL29914147 0.94 KRAS (0.59) KRAS
SCHEMBL27003434 0.92 KRAS (0.63) KRAS
SCHEMBL24698376 0.91 KRAS (0.67) KRAS
SCHEMBL29914145 0.91 KRAS (0.67) KRAS
SCHEMBL29125119 0.91 KRAS (0.67) KRAS
SCHEMBL30686959 0.91 KRAS (0.67) KRAS
SCHEMBL24697269 0.90 KRAS (0.59) 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
CN-117242074-A KRAS G12D inhibitors 百时美施贵宝公司 2023-12-15 CN disclosed