SCHEMBL9536776

SCHEMBL9536776

NC(=O)CC[C@H](NC(=O)c1ccc(CCC2CNc3nc(N)nc(O)c3C2)cc1)C(=O)O

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GART P22102 7/20 0.67
DHFR P00374 2/20 0.53
ATIC P31939 3/20 0.50
FPGS Q05932 1/20 0.48
TYMS P04818 1/20 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
SCHEMBL7487523 0.97 GART (0.64) GARTDHFRATICFPGS
SCHEMBL9050048 0.95 GART (0.61) GARTDHFRATICFPGS
Lometrexol SCHEMBL12022771 0.94 GART (0.75) GARTDHFRATICTYMS
Lometrexol SCHEMBL9045915 0.94 GART (0.75) GARTDHFRATICTYMS
SCHEMBL9536782 0.93 GART (0.68) GARTDHFRATICFPGS
SCHEMBL7487728 0.92 GART (0.62) GARTDHFRATICFPGS
SCHEMBL7488545 0.91 GART (0.71) GARTDHFRATICTYMS
SCHEMBL7487513 0.91 GART (0.71) GARTDHFRATICTYMS
SCHEMBL7487721 0.90 GART (0.65) GARTDHFRATIC
SCHEMBL9218459 0.89 GART (0.54) GARTDHFRATICFPGSTYMS

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