SCHEMBL24192552

SCHEMBL24192552

Nc1ccc(C(=O)NCCC[C@H](NC(=O)c2ccc(NCc3cnc4nc(N)nc(N)c4n3)cc2)C(=O)O)c(S(=O)(=O)O)c1

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DHFR P00374 8/20 0.61
CA1 P00915 3/20 0.56
CA2 P00918 3/20 0.56
CA9 Q16790 1/20 0.52

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
SCHEMBL24192867 0.93 DHFR (0.59) DHFRCA1CA2CA9
SCHEMBL29027575 0.90 DHFR (0.69) DHFR
SCHEMBL29027533 0.90 DHFR (0.69) DHFR
SCHEMBL24344790 0.90 DHFR (0.69) DHFR
SCHEMBL30311295 0.90 DHFR (0.69) DHFR
SCHEMBL24193104 0.90 DHFR (0.69) DHFR
SCHEMBL24192548 0.90 DHFR (0.64) DHFRCA1CA2
SCHEMBL25835015 0.88 DHFR (0.69) DHFRCA1CA2CA9
SCHEMBL24192606 0.88 DHFR (0.69) DHFRCA1CA2CA9
SCHEMBL14417307 0.85 DHFR (0.70) DHFRCA1CA2CA9

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