SCHEMBL8820737

SCHEMBL8820737

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

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GART P22102 9/20 0.52
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
ATIC P31939 3/20 0.41
DHFR P00374 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
SCHEMBL8820727 1.00 GART (0.52) GARTKDM4EHPGDATICDHFR
SCHEMBL8819374 0.88 GART (0.39) GARTKDM4EHPGDATICDHFR
SCHEMBL8819377 0.88 GART (0.39) GARTKDM4EHPGDATICDHFR
SCHEMBL8819683 0.86 GART (0.60) GARTKDM4EHPGDATICDHFR
SCHEMBL7497224 0.83 GART (0.46) GARTATICDHFR
SCHEMBL7497210 0.83 GART (0.46) GARTATICDHFR
SCHEMBL9216949 0.82 GART (0.45) GARTATIC
SCHEMBL9216933 0.82 GART (0.45) GARTATIC
SCHEMBL9382790 0.82 DHFR (0.52) GARTATICDHFR
SCHEMBL9382796 0.82 DHFR (0.52) 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 1 patent. 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 disclosed