SCHEMBL7553633

SCHEMBL7553633

Nc1nc(O)c2c(n1)NCC(CCc1ccc(C(=O)N[C@H](CCC(=O)O)C(=O)O)[nH]1)C2

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GART P22102 9/20 0.58
ATIC P31939 3/20 0.43
DHFR P00374 3/20 0.43
SOST Q9BQB4 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
SCHEMBL7496781 1.00 GART (0.58) GARTATICDHFRSOST
SCHEMBL7496744 0.93 GART (0.58) GARTATICDHFR
SCHEMBL7497451 0.87 GART (0.43) GARTATICDHFR
SCHEMBL7497455 0.87 GART (0.43) GARTATICDHFR
SCHEMBL8018583 0.85 GART (0.54) GARTATICDHFR
SCHEMBL7499714 0.85 GART (0.54) GARTATICDHFR
Lometrexol SCHEMBL12022771 0.85 GART (0.75) GARTATICDHFR
Lometrexol SCHEMBL9045915 0.85 GART (0.75) GARTATICDHFR
SCHEMBL7495598 0.85 GART (0.53) GARTATICDHFR
SCHEMBL7495297 0.85 GART (0.57) GARTATICDHFR

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
EP-0904271-A4 5,6,7,8-TETRAHYDROPYRIDO[2,3-d]PYRIMIDINES UNIV PRINCETON (US) 2002-01-23 EP disclosed
US-6066639-A ANTITUMOR AGENTS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2000-05-23 US disclosed
EP-0904271-A1 5,6,7,8-TETRAHYDROPYRIDO[2,3-d]PYRIMIDINES THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1999-03-31 EP disclosed
WO-1997041115-A1 5,6,7,8-TETRAHYDROPYRIDO[2,3-d]PYRIMIDINES THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1997-11-06 WO disclosed