SCHEMBL9536050

SCHEMBL9536050

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

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GART P22102 5/20 0.50
FPGS Q05932 1/20 0.46
ATIC P31939 3/20 0.45
DHFR P00374 2/20 0.44

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
SCHEMBL9536040 0.95 GART (0.56) GARTATICDHFR
SCHEMBL9536853 0.93 GART (0.51) GARTFPGSATICDHFR
SCHEMBL9535744 0.91 GART (0.51) GARTFPGSATICDHFR
SCHEMBL10479169 0.88 GART (0.57) GARTATIC
SCHEMBL10479203 0.88 GART (0.57) GARTATIC
SCHEMBL10479205 0.88 GART (0.57) GARTATIC
SCHEMBL9536834 0.88 GART (0.57) GARTATICDHFR
SCHEMBL10479151 0.88 GART (0.57) GARTATIC
SCHEMBL10479154 0.88 GART (0.57) GARTATIC
SCHEMBL9534949 0.85 GART (0.58) GARTATICDHFR

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