SCHEMBL25294982

SCHEMBL25294982

CC(C)(C)OC(=O)NCCCC(NC(=O)c1ccc(NCc2ccc3nc(N)nc(N)c3c2Cl)s1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TYMS P04818 2/20 0.40
▸ DHFR P00374 2/20 0.39
▸ GART P22102 1/20 0.38
▸ SUCNR1 Q9BXA5 4/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ PAX8 Q06710 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ GAA P10253 1/20 0.34

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
SCHEMBL25257994 1.00 TYMS (0.40) TYMSDHFRGARTSUCNR1MEN1
SCHEMBL24344795 0.94 TDP1 (0.36) DHFRMEN1KMT2APAX8TDP1
SCHEMBL25298843 0.87 DHFR (0.46) DHFR
SCHEMBL25251194 0.87 DHFR (0.46) DHFR
SCHEMBL31143716 0.85 TYMS (0.45) TYMSDHFRGART
SCHEMBL25301066 0.82 DHFR (0.48) TYMSDHFR
SCHEMBL25301067 0.82 DHFR (0.48) TYMSDHFR
SCHEMBL24343802 0.81 TDP1 (0.40) DHFRKMT2APAX8TDP1MAPT
SCHEMBL24343391 0.79 TYMS (0.39) TYMSDHFRGART
SCHEMBL25725125 0.78 TYMS (0.41) TYMSDHFRGART

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