SCHEMBL9211571

SCHEMBL9211571

CC(C)(C)C(=O)Nc1nc(O)c2c(n1)NCC(CNCc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)C2

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GART P22102 7/20 0.52
ATIC P31939 3/20 0.47
SOST Q9BQB4 1/20 0.40
DHFR P00374 3/20 0.40
TYMS P04818 1/20 0.39

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
SCHEMBL10570448 1.00 GART (0.52) GARTATICSOSTDHFRTYMS
SCHEMBL9216933 0.92 GART (0.45) GARTATICSOSTTYMS
SCHEMBL9216949 0.92 GART (0.45) GARTATICSOSTTYMS
SCHEMBL10574310 0.89 GART (0.44) GARTATICSOSTDHFRTYMS
SCHEMBL10574300 0.89 GART (0.44) GARTATICSOSTDHFRTYMS
SCHEMBL10567793 0.89 GART (0.42) GARTATICDHFRTYMS
SCHEMBL10567798 0.89 GART (0.42) GARTATICDHFRTYMS
SCHEMBL9209872 0.87 GART (0.38) GARTATICDHFR
SCHEMBL9211704 0.85 GART (0.60) GARTATICSOSTDHFRTYMS
SCHEMBL9211691 0.85 GART (0.60) GARTATICSOSTDHFRTYMS

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 3 patents. 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 disclosed
EP-0344922-A2 N-(N-(tetrahydropyrido(2,3-d)pyrimidinylmethyl)-aminomethylbenzoyl)glutamic acid derivatives THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1989-12-06 EP disclosed
US-4871746-A N-[N-(tetrahydropyrido[2,3-D]pyrimidinylmethyl)-aminomethylbenzoyl]glutamic acid derivatives as neoplastic growth inhibitors THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1989-10-03 US disclosed