SCHEMBL24697269

SCHEMBL24697269

CN1CCC[C@H]1COc1nc(N2C3CCC2N(C(=O)OC(C)(C)C)CC3)c2cc(Cl)c(-c3cc(O)cc4ccccc34)c(F)c2n1

nearest known ligand 0.59

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KRAS P01116 20/20 0.59

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
SCHEMBL30686964 0.92 KRAS (0.59) KRAS
SCHEMBL27426474 0.92 KRAS (0.59) KRAS
SCHEMBL29914147 0.92 KRAS (0.59) KRAS
SCHEMBL29940077 0.90 KRAS (0.60) KRAS
SCHEMBL30717282 0.90 KRAS (0.60) KRAS
SCHEMBL26793082 0.88 KRAS (0.60) KRAS
SCHEMBL29939908 0.88 KRAS (0.63) KRAS
SCHEMBL29634764 0.88 KRAS (0.63) KRAS
SCHEMBL30717277 0.88 KRAS (0.63) KRAS
SCHEMBL25981024 0.88 KRAS (0.63) 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-2022192790-A1 KRAS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2022-09-15 WO disclosed