SCHEMBL25298288

SCHEMBL25298288

CC(NC(=O)C(NC(=O)CCOCCOCCOCCN=[N+]=[N-])C(C)C)C(=O)Nc1ccc(C(=O)NCCCC(NC(=O)c2ccc(CCc3cnc4nc(N)nc(N)c4n3)cc2)C(=O)O)s1

nearest known ligand 0.48

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 6/20 0.48

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
SCHEMBL25250711 1.00 DHFR (0.48) DHFR
SCHEMBL30311447 1.00 DHFR (0.48) DHFR
SCHEMBL29578665 0.96 DHFR (0.42) DHFR
SCHEMBL30311380 0.85 DHFR (0.49) DHFR
SCHEMBL25725216 0.85 DHFR (0.49) DHFR
SCHEMBL25729611 0.85 DHFR (0.49) DHFR
SCHEMBL29577813 0.80 DHFR (0.45) DHFR
SCHEMBL24343388 0.79 DHFR (0.42) DHFR
SCHEMBL30311370 0.77 DHFR (0.45) DHFR
SCHEMBL25725351 0.77 DHFR (0.45) 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 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
Send feedback