SCHEMBL27359490

SCHEMBL27359490

C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](N)C(C)(C)C)c1ccc(-c2cnccc2Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
VHL P40337 14/20 0.44
ELOC Q15369 4/20 0.41
ELOB Q15370 4/20 0.41
DPP4 P27487 1/20 0.39
NAMPT P43490 5/20 0.38

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
SCHEMBL30148979 0.88 VHL (0.51) VHLELOCELOBDPP4
SCHEMBL30149081 0.86 VHL (0.43) VHLELOCELOB
SCHEMBL30772026 0.84 VHL (0.49) VHLELOCELOBDPP4
SCHEMBL27359853 0.83 VHL (0.47) VHLELOCELOBNAMPT
SCHEMBL24757713 0.82 VHL (0.51) VHLELOCELOBDPP4
SCHEMBL24756803 0.82 VHL (0.46) VHLELOCELOBDPP4
SCHEMBL27359817 0.82 VHL (0.68) VHLELOCELOB
SCHEMBL30149065 0.82 VHL (0.52) VHLELOCELOBDPP4
SCHEMBL24757855 0.82 VHL (0.52) VHLELOCELOBDPP4
SCHEMBL30771993 0.81 VHL (0.51) VHLELOCELOBDPP4

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