SCHEMBL27359673

SCHEMBL27359673

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

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
VHL P40337 17/20 0.43
ELOC Q15369 6/20 0.39
ELOB Q15370 6/20 0.39
MAPK1 P28482 1/20 0.36
DPP4 P27487 2/20 0.36
DPP8 Q6V1X1 2/20 0.36
DPP9 Q86TI2 2/20 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
SCHEMBL27360158 0.91 VHL (0.42) VHLELOCELOBMAPK1DPP4
SCHEMBL30760178 0.91 VHL (0.42) VHLELOCELOBMAPK1DPP4
SCHEMBL27359569 0.88 VHL (0.44) VHLELOCELOBDPP4DPP8
SCHEMBL30760164 0.86 CYP3A4 (0.43) VHLELOCELOBMAPK1
SCHEMBL30760153 0.86 VHL (0.40) VHLELOCELOB
SCHEMBL30760065 0.85 VHL (0.41) VHLELOCELOB
SCHEMBL24757103 0.85 VHL (0.44) VHLELOCELOBDPP4DPP8
SCHEMBL30760038 0.82 VHL (0.51) VHLELOCELOBMAPK1DPP4
SCHEMBL26648479 0.82 VHL (0.44) VHLELOCELOBDPP4DPP8
SCHEMBL26648474 0.82 VHL (0.44) VHLELOCELOBDPP4DPP8

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