SCHEMBL9535744

SCHEMBL9535744

CC(CC1CNc2nc(N)nc(O)c2C1)c1ccc(C(=O)N[C@@H](CCC(N)=O)C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GART P22102 5/20 0.51
FPGS Q05932 1/20 0.47
ATIC P31939 3/20 0.46
DHFR P00374 1/20 0.43
SOST Q9BQB4 1/20 0.41
CA2 P00918 2/20 0.41
CA1 P00915 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
SCHEMBL9534949 0.94 GART (0.58) GARTATICDHFRSOST
SCHEMBL9535149 0.93 GART (0.52) GARTFPGSATICDHFR
SCHEMBL9536050 0.91 GART (0.50) GARTFPGSATICDHFR
SCHEMBL9446048 0.87 GART (0.61) GARTATICDHFRSOST
SCHEMBL9535135 0.87 GART (0.58) GARTATICDHFR
SCHEMBL9536776 0.85 GART (0.67) GARTFPGSATICDHFR
SCHEMBL9536040 0.85 GART (0.56) GARTATICDHFR
SCHEMBL9218459 0.85 GART (0.54) GARTFPGSATICDHFRCA2
SCHEMBL9217671 0.85 GART (0.54) GARTFPGSATICDHFRCA2
SCHEMBL10479151 0.84 GART (0.57) GARTATICSOST

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
EP-0215063-B1 PYRIDO (2,3-d )PYRIMIDIN DERIVATIVES UNIV PRINCETON (US) 1993-11-03 EP claimed