SCHEMBL8819683

SCHEMBL8819683

Nc1nc(O)c2c(n1)NCC(CCc1cncc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)c1)C2

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GART P22102 8/20 0.60
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
ATIC P31939 3/20 0.46
DHFR P00374 1/20 0.45

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
SCHEMBL9524340 0.89 GART (0.62) GARTATICDHFR
SCHEMBL9523254 0.89 GART (0.62) GARTATICDHFR
Lometrexol SCHEMBL9045915 0.89 GART (0.75) GARTATICDHFR
Lometrexol SCHEMBL12022771 0.89 GART (0.75) GARTATICDHFR
SCHEMBL7487513 0.88 GART (0.71) GARTATICDHFR
SCHEMBL8820727 0.86 GART (0.52) GARTKDM4EHPGDATICDHFR
SCHEMBL8820737 0.86 GART (0.52) GARTKDM4EHPGDATICDHFR
SCHEMBL7488545 0.86 GART (0.71) GARTATICDHFR
SCHEMBL9524099 0.86 GART (0.58) GARTATICDHFR
SCHEMBL9524506 0.86 GART (0.60) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997049705-A1 5,6,7,8-TETRAHYDROPYRIDO[2,3-d]PYRIMIDINE DERIVATIVES THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1997-12-31 WO claimed
WO-1997049705-A1 5,6,7,8-TETRAHYDROPYRIDO[2,3-d]PYRIMIDINE DERIVATIVES THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1997-12-31 WO disclosed
WO-1997049705-A1 5,6,7,8-TETRAHYDROPYRIDO[2,3-d]PYRIMIDINE DERIVATIVES THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1997-12-31 WO disclosed