SCHEMBL25251194

SCHEMBL25251194

CC(C)(C)OC(=O)NCCC[C@H](NC(=O)c1ccc(NCc2ccc3nc(N)nc(N)c3c2Cl)cc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 5/20 0.46
▸ FPGS Q05932 1/20 0.41

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
SCHEMBL25298843 1.00 DHFR (0.46) DHFRFPGS
SCHEMBL24343802 0.93 TDP1 (0.40) DHFR
SCHEMBL25301066 0.89 DHFR (0.48) DHFRFPGS
SCHEMBL25301067 0.89 DHFR (0.48) DHFRFPGS
SCHEMBL25257994 0.87 TYMS (0.40) DHFR
SCHEMBL25294982 0.87 TYMS (0.40) DHFR
SCHEMBL30947423 0.84 DHFR (0.54) DHFRFPGS
SCHEMBL31143686 0.84 DHFR (0.54) DHFRFPGS
SCHEMBL24344221 0.82 DHFR (0.40) DHFR
SCHEMBL25171614 0.81 DHFR (0.48) DHFRFPGS

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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