SCHEMBL25837523

SCHEMBL25837523

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(NCc3ccc4nc(N)nc(N)c4c3Cl)s2)C(=O)O)c(-c2nn[nH]n2)c1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ TYMS P04818 1/20 0.32

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
SCHEMBL24343413 0.93 TYMS (0.33) TYMS
SCHEMBL24343465 0.86 DHFR (0.34) —
SCHEMBL25833187 0.85 DHFR (0.33) TYMS
SCHEMBL25833360 0.83 DHFR (0.32) TYMS
SCHEMBL25725131 0.83 FOLH1 (0.33) —
SCHEMBL25725100 0.83 FPGS (0.32) —
SCHEMBL24343468 0.82 DHFR (0.33) TYMS
SCHEMBL25837520 0.82 DHFR (0.39) —
SCHEMBL25725125 0.80 TYMS (0.41) TYMS
SCHEMBL24343434 0.80 TYMS (0.39) TYMS

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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