SCHEMBL9535837

SCHEMBL9535837

NC(=O)CC[C@H](NC(=O)c1ccc(CCc2cnc3nc(N)nc(O)c3c2)cc1)C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GART P22102 2/20 0.63
DHFR P00374 11/20 0.58
TYMS P04818 2/20 0.48
ATIC P31939 1/20 0.48

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
SCHEMBL9535831 0.94 GART (0.72) GARTDHFRTYMSATIC
SCHEMBL9263780 0.90 GART (0.67) GARTDHFRTYMSATIC
SCHEMBL9537018 0.86 DHFR (0.59) GARTDHFR
SCHEMBL9535980 0.85 GART (0.73) GARTDHFR
SCHEMBL9208538 0.85 GART (0.60) GARTDHFRTYMSATIC
SCHEMBL9208525 0.85 GART (0.60) GARTDHFRTYMSATIC
SCHEMBL9446052 0.84 GART (0.59) GARTDHFRTYMSATIC
SCHEMBL9446084 0.82 DHFR (0.69) GARTDHFR
SCHEMBL9538587 0.81 DHFR (0.61) GARTDHFRTYMSATIC
SCHEMBL9052458 0.80 GART (0.44) GARTDHFR

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