SCHEMBL25832449

SCHEMBL25832449

CC(C)[C@H](NC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)N[C@@H](C)C(=O)Nc1ccc(C(=O)NCCC[C@H](NC(=O)c2ccc(CCc3ccc4nc(N)nc(N)c4c3F)cc2)C(=O)O)c(-c2nn[nH]n2)c1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 10/20 0.33
▸ TYMS P04818 2/20 0.33
▸ FPGS Q05932 2/20 0.32
▸ FAP Q12884 1/20 0.31

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
SCHEMBL25725532 0.96 FPGS (0.32) DHFRTYMSFPGSFAP
SCHEMBL24343468 0.94 DHFR (0.33) DHFRTYMSFPGSFAP
SCHEMBL30492188 0.92 DHFR (0.32) DHFRTYMSFPGSFAP
SCHEMBL25730725 0.92 DHFR (0.32) DHFRTYMSFPGSFAP
SCHEMBL25167229 0.92 DHFR (0.32) DHFRTYMSFPGSFAP
SCHEMBL25167230 0.92 DHFR (0.32) DHFRTYMSFPGSFAP
SCHEMBL25833187 0.92 DHFR (0.33) DHFRTYMSFPGS
SCHEMBL25725107 0.91 FPGS (0.32) FPGSFAP
SCHEMBL24343465 0.90 DHFR (0.34) DHFRFPGS
SCHEMBL25731916 0.89 DHFR (0.33) DHFRTYMSFPGSFAP

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-2023126297-A1 ANTIFOLATE LINKER-DRUGS AND ANTIBODY-DRUG CONJUGATES BYONDIS B.V. (NL) 2023-07-06 — — WO disclosed
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