SCHEMBL27360158

SCHEMBL27360158

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

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
VHL P40337 16/20 0.42
DPP4 P27487 1/20 0.38
ELOC Q15369 2/20 0.38
ELOB Q15370 2/20 0.38
MAPK1 P28482 2/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 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
SCHEMBL30760178 1.00 VHL (0.42) VHLDPP4ELOCELOBMAPK1
SCHEMBL27359673 0.91 VHL (0.43) VHLDPP4ELOCELOBMAPK1
SCHEMBL30760038 0.91 VHL (0.51) VHLDPP4ELOCELOBMAPK1
SCHEMBL27360242 0.91 VHL (0.45) VHLDPP4ELOCELOBMAPK1
SCHEMBL30760141 0.90 DPP4 (0.47) VHLDPP4ELOCELOB
SCHEMBL30760049 0.88 VHL (0.43) VHLDPP4ELOCELOB
SCHEMBL30759968 0.87 VHL (0.43) VHLDPP4ELOCELOBROCK2
SCHEMBL30760065 0.86 VHL (0.41) VHLELOCELOBROCK2ROCK1
SCHEMBL30760062 0.86 VHL (0.44) VHLDPP4ELOCELOB
SCHEMBL30759931 0.85 VHL (0.44) VHLDPP4ELOCELOB

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