SCHEMBL30760065

SCHEMBL30760065

CC(C)[C@H](N=[N+]=[N-])C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](CO)c1ccc(-c2ccncc2F)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
VHL P40337 17/20 0.41
ELOC Q15369 2/20 0.35
ELOB Q15370 2/20 0.35
ROCK1 Q13464 3/20 0.35
ROCK2 O75116 2/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
PRKACA P17612 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
PRKX P51817 1/20 0.34
PRKCQ Q04759 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34

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
SCHEMBL30759988 0.92 VHL (0.48) VHLELOCELOBROCK1PRKACA
SCHEMBL30760092 0.91 VHL (0.41) VHLELOCELOB
SCHEMBL30760175 0.89 VHL (0.42) VHLELOCELOB
SCHEMBL30760047 0.88 VHL (0.43) VHLELOCELOB
SCHEMBL30759995 0.88 VHL (0.41) VHLELOCELOBROCK2
SCHEMBL30760079 0.87 VHL (0.43) VHLELOCELOB
SCHEMBL30759942 0.87 VHL (0.45) VHLELOCELOB
SCHEMBL27360158 0.86 VHL (0.42) VHLELOCELOBROCK1ROCK2
SCHEMBL30760178 0.86 VHL (0.42) VHLELOCELOBROCK1ROCK2
SCHEMBL30760093 0.85 VHL (0.40) 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