SCHEMBL30760141

SCHEMBL30760141

CC(C)[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](CO)c1ccc(-c2ccncc2Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.47
VHL P40337 18/20 0.42
ELOC Q15369 1/20 0.36
ELOB Q15370 1/20 0.36
CFD P00746 1/20 0.36

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
SCHEMBL30760038 0.91 VHL (0.51) DPP4VHLELOCELOB
SCHEMBL27360158 0.90 VHL (0.42) DPP4VHLELOCELOB
SCHEMBL30760178 0.90 VHL (0.42) DPP4VHLELOCELOB
SCHEMBL27360153 0.89 VHL (0.42) DPP4VHLELOCELOB
SCHEMBL30759968 0.87 VHL (0.43) DPP4VHLELOCELOB
SCHEMBL30760092 0.86 VHL (0.41) DPP4VHLELOCELOB
SCHEMBL30760062 0.86 VHL (0.44) DPP4VHLELOCELOB
SCHEMBL30759931 0.85 VHL (0.44) DPP4VHLELOCELOB
SCHEMBL30760183 0.85 VHL (0.43) VHLELOCELOB
SCHEMBL30759978 0.85 VHL (0.43) VHLELOCELOB

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-2024040080-A1 KRAS INHIBITOR CONJUGATES ERASCA, INC. (US) 2024-02-22 WO disclosed