SCHEMBL9535149

SCHEMBL9535149

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

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GART P22102 5/20 0.52
FPGS Q05932 1/20 0.48
DHFR P00374 4/20 0.47
ATIC P31939 3/20 0.47
TYMS P04818 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
SCHEMBL9535135 0.94 GART (0.58) GARTDHFRATICTYMS
SCHEMBL9535744 0.93 GART (0.51) GARTFPGSDHFRATIC
SCHEMBL9536853 0.91 GART (0.51) GARTFPGSDHFRATIC
SCHEMBL10808300 0.87 GART (0.62) GARTDHFRATIC
SCHEMBL9534949 0.87 GART (0.58) GARTDHFRATIC
SCHEMBL9536782 0.85 GART (0.68) GARTFPGSDHFRATIC
SCHEMBL9536834 0.85 GART (0.57) GARTDHFRATIC
SCHEMBL9527114 0.84 GART (0.62) GARTFPGSDHFRATIC
SCHEMBL9536050 0.83 GART (0.50) GARTFPGSDHFRATIC
SCHEMBL9446048 0.80 GART (0.61) GARTDHFRATIC

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