SCHEMBL9217671

SCHEMBL9217671

NC(=O)CC[C@H](NC(=O)c1ccc(CNC[C@H]2CNc3nc(N)nc(O)c3C2)cc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GART P22102 7/20 0.54
FPGS Q05932 1/20 0.48
ATIC P31939 3/20 0.47
DHFR P00374 2/20 0.44
TYMS P04818 1/20 0.44
CA2 P00918 2/20 0.41
CA1 P00915 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
SCHEMBL9218459 1.00 GART (0.54) GARTFPGSATICDHFRTYMS
SCHEMBL9211691 0.94 GART (0.60) GARTATICDHFRTYMS
SCHEMBL9211704 0.94 GART (0.60) GARTATICDHFRTYMS
SCHEMBL9207703 0.94 GART (0.60) GARTATICDHFRTYMS
SCHEMBL9216180 0.94 GART (0.60) GARTATICDHFRTYMS
SCHEMBL9536776 0.89 GART (0.67) GARTFPGSATICDHFRTYMS
SCHEMBL9050048 0.88 GART (0.61) GARTFPGSATICDHFR
SCHEMBL7487523 0.87 GART (0.64) GARTFPGSATICDHFR
SCHEMBL9215589 0.86 GART (0.50) GARTFPGSATICDHFRTYMS
SCHEMBL9219680 0.86 GART (0.50) GARTFPGSATICDHFRTYMS

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-0344922-B1 N-(N-(tetrahydropyrido(2,3-d)pyrimidinylmethyl)-aminomethylbenzoyl)glutamic acid derivatives UNIV PRINCETON (US) 1995-10-18 EP claimed