SCHEMBL9536853

SCHEMBL9536853

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

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GART P22102 5/20 0.51
DHFR P00374 3/20 0.48
FPGS Q05932 1/20 0.47
ATIC P31939 2/20 0.46

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
SCHEMBL9536834 0.94 GART (0.57) GARTDHFRATIC
SCHEMBL9536050 0.93 GART (0.50) GARTDHFRFPGSATIC
SCHEMBL9535149 0.91 GART (0.52) GARTDHFRFPGSATIC
SCHEMBL9536040 0.88 GART (0.56) GARTDHFRATIC
SCHEMBL9535135 0.85 GART (0.58) GARTDHFRATIC
SCHEMBL9536782 0.84 GART (0.68) GARTDHFRFPGSATIC
SCHEMBL9535744 0.83 GART (0.51) GARTDHFRFPGSATIC
SCHEMBL9527114 0.83 GART (0.62) GARTDHFRFPGSATIC
SCHEMBL10808300 0.83 GART (0.62) GARTDHFRATIC
SCHEMBL10479205 0.80 GART (0.57) GARTATIC

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