SCHEMBL26533910

SCHEMBL26533910

CN1C[C@H]2C[C@@H]1CN2c1ncnc2c(F)c(-c3ccc(F)c4sc(NC(=O)OC(C)(C)C)c(C#N)c34)c3c(c12)COC3

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KRAS P01116 2/20 0.35
HRH4 Q9H3N8 1/20 0.31
GPR119 Q8TDV5 2/20 0.31
EIF4EBP1 Q13541 1/20 0.30

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
SCHEMBL30776384 1.00 KRAS (0.35) KRASHRH4GPR119EIF4EBP1
SCHEMBL27084380 0.91 KRAS (0.37) KRASHRH4EIF4EBP1
SCHEMBL30776423 0.88 EIF4EBP1 (0.31) KRASEIF4EBP1
SCHEMBL26113915 0.87 KRAS (0.32) KRASGPR119
SCHEMBL26533798 0.87 GPR119 (0.35) KRASGPR119
SCHEMBL30587246 0.87 GPR119 (0.35) KRASGPR119
SCHEMBL26533794 0.87 GPR119 (0.35) KRASGPR119
SCHEMBL26114010 0.87 KRAS (0.34) KRAS
SCHEMBL30587289 0.87 GPR119 (0.34) KRASGPR119
SCHEMBL26532739 0.87 GPR119 (0.34) KRASGPR119

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-2023183585-A1 KRAS INHIBITORS ELI LILLY AND COMPANY (US) 2023-09-28 WO disclosed