SCHEMBL9838445

SCHEMBL9838445

Nc1nc2c(c(=O)[nH]1)CC(CN(C=O)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)CN2

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GART P22102 7/20 0.72
ATIC P31939 4/20 0.65
DHFR P00374 3/20 0.57
SOST Q9BQB4 1/20 0.55
MTHFD2 P13995 2/20 0.54
MTHFD1 P11586 2/20 0.54
TYMS P04818 2/20 0.54

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
SCHEMBL9836738 0.89 GART (0.73) GARTATICDHFRSOSTMTHFD2
SCHEMBL10524031 0.86 GART (0.67) GARTATICDHFRSOSTMTHFD2
SCHEMBL13418310 0.85 SOST (0.72) GARTATICDHFRSOSTMTHFD2
SCHEMBL258465 0.85 SOST (0.72) GARTATICDHFRSOSTMTHFD2
SCHEMBL3199681 0.85 SOST (0.72) GARTATICDHFRSOSTMTHFD2
SCHEMBL8061 0.85 SOST (0.72) GARTATICDHFRSOSTMTHFD2
SCHEMBL12704421 0.85 SOST (0.72) GARTATICDHFRSOSTMTHFD2
SCHEMBL8060 0.85 SOST (0.72) GARTATICDHFRSOSTMTHFD2
SCHEMBL29616598 0.85 SOST (0.72) GARTATICDHFRSOSTMTHFD2
Lometrexol SCHEMBL14469100 0.83 GART (1.00) GARTATICSOSTMTHFD2MTHFD1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4831037-A 4 (3H)-oxo-5,6,7,8-tetrahydropyrido-(2,3-d)pyrimidine derivatives THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1989-05-16 US claimed
EP-0255228-B1 4(3H)-OXO-5,6,7,8,-TETRAHYDROPYRIDO-(2,3-D)PYRIMIDINE DERIVATIVES THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1991-05-02 EP disclosed
US-4831037-A 4 (3H)-oxo-5,6,7,8-tetrahydropyrido-(2,3-d)pyrimidine derivatives THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1989-05-16 US disclosed
US-4831037-A 4 (3H)-oxo-5,6,7,8-tetrahydropyrido-(2,3-d)pyrimidine derivatives THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1989-05-16 US disclosed