SCHEMBL24192569

SCHEMBL24192569

Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@@H](CCCNC(=O)c4ccc(NC(=O)CCCCCN5C(=O)C=CC5O)cc4C(=O)O)C(=O)O)cc3)cnc2n1

nearest known ligand 0.57

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 4/20 0.54

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
SCHEMBL24343779 0.92 DHFR (0.58) DHFR
SCHEMBL29027627 0.92 DHFR (0.58) DHFR
SCHEMBL24193097 0.92 DHFR (0.48) DHFR
SCHEMBL29027886 0.89 DHFR (0.58) DHFR
SCHEMBL25725157 0.89 DHFR (0.58) DHFR
SCHEMBL24343776 0.88 DHFR (0.62) DHFR
SCHEMBL30311630 0.88 DHFR (0.62) DHFR
SCHEMBL29027563 0.88 DHFR (0.62) DHFR
SCHEMBL29027536 0.86 DHFR (0.62) DHFR
SCHEMBL25725159 0.86 DHFR (0.62) 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-2022008419-A1 ANTIFOLATE LINKER-DRUGS AND ANTIBODY-DRUG CONJUGATES BYONDIS B.V. (NL) 2022-01-13 — — WO disclosed
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