SCHEMBL30492199

SCHEMBL30492199

CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)Nc1ccc(C(=O)NCCC[C@H](NC(=O)c2ccc(CCc3cnc4nc(N)nc(N)c4n3)cc2O)C(=O)O)c(-c2nnn[nH]2)c1

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 5/20 0.39
▸ NCOA3 Q9Y6Q9 1/20 0.35

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
SCHEMBL25296821 1.00 DHFR (0.39) DHFRNCOA3
SCHEMBL25168406 1.00 DHFR (0.39) DHFRNCOA3
SCHEMBL30492198 0.96 DHFR (0.34) DHFR
SCHEMBL25730826 0.96 DHFR (0.34) DHFR
SCHEMBL25730829 0.88 KDM4E (0.32) DHFR
SCHEMBL25167002 0.87 DHFR (0.38) DHFRNCOA3
SCHEMBL30492196 0.87 DHFR (0.38) DHFRNCOA3
SCHEMBL25167003 0.87 DHFR (0.38) DHFRNCOA3
SCHEMBL30492189 0.84 DHFR (0.49) DHFR
SCHEMBL25167232 0.84 DHFR (0.49) DHFR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4457229-A1 ANTIFOLATE LINKER-DRUGS AND ANTIBODY-DRUG CONJUGATES Byondis B.V. (NL) 2024-11-06 — — EP disclosed
WO-2023126297-A1 ANTIFOLATE LINKER-DRUGS AND ANTIBODY-DRUG CONJUGATES BYONDIS B.V. (NL) 2023-07-06 — — WO disclosed
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