SCHEMBL31143716

SCHEMBL31143716

CCCC(NC(=O)c1ccc(NCc2ccc3nc(N)nc(N)c3c2Cl)s1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TYMS P04818 2/20 0.45
▸ DHFR P00374 5/20 0.44
▸ GART P22102 1/20 0.40
▸ FOLR1 P15328 1/20 0.39
▸ SLC46A1 Q96NT5 1/20 0.39

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
SCHEMBL25294982 0.85 TYMS (0.40) TYMSDHFRGART
SCHEMBL25257994 0.85 TYMS (0.40) TYMSDHFRGART
SCHEMBL31143686 0.84 DHFR (0.54) TYMSDHFR
SCHEMBL24344795 0.78 TDP1 (0.36) DHFR
SCHEMBL31476915 0.78 DHFR (0.56) TYMSDHFR
SCHEMBL25725125 0.77 TYMS (0.41) TYMSDHFRGART
SCHEMBL24344797 0.77 TYMS (0.36) TYMSDHFRGART
SCHEMBL25294343 0.77 TYMS (0.36) TYMSDHFRGART
SCHEMBL24343434 0.77 TYMS (0.39) TYMSDHFRGARTFOLR1
SCHEMBL24343391 0.76 TYMS (0.39) 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
CN-118613484-A Antifolate linker-drug and antibody-drug conjugates 拜奥迪斯私人有限公司 2024-09-06 — — CN disclosed
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