SCHEMBL25833187

SCHEMBL25833187

CC(C)[C@H](NC(=O)CCCCCN1C(O)C=CC1O)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 3)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 11/20 0.33
▸ TYMS P04818 3/20 0.32
▸ FPGS Q05932 2/20 0.30

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
SCHEMBL25832449 0.92 DHFR (0.33) DHFRTYMSFPGS
SCHEMBL25833360 0.89 DHFR (0.32) DHFRTYMSFPGS
SCHEMBL25725532 0.88 FPGS (0.32) DHFRTYMSFPGS
SCHEMBL24343468 0.87 DHFR (0.33) DHFRTYMSFPGS
SCHEMBL24192579 0.87 DHFR (0.44) DHFR
SCHEMBL25837523 0.85 TYMS (0.32) TYMS
SCHEMBL25167229 0.85 DHFR (0.32) DHFRTYMSFPGS
SCHEMBL25167230 0.85 DHFR (0.32) DHFRTYMSFPGS
SCHEMBL30492188 0.85 DHFR (0.32) DHFRTYMSFPGS
SCHEMBL25730725 0.85 DHFR (0.32) DHFRTYMSFPGS

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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