SCHEMBL9836773

SCHEMBL9836773

CCOC(=O)CC[C@H](NC(=O)c1ccc(N(C=O)CC2CNc3nc(NC(C)=O)[nH]c(=O)c3C2)cc1)C(=O)OCC

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GART P22102 5/20 0.43
DHFR P00374 5/20 0.40
ATIC P31939 3/20 0.40
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TYMS P04818 2/20 0.34

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
SCHEMBL9837146 0.93 GART (0.41) GARTDHFRATICKDM4EALDH1A1
SCHEMBL9836207 0.87 GART (0.44) GARTDHFRATICKDM4EALDH1A1
SCHEMBL10519237 0.87 GART (0.44) GARTDHFRATICKDM4EALDH1A1
SCHEMBL10512971 0.87 GART (0.58) GARTDHFRATICKDM4EALDH1A1
SCHEMBL9836685 0.85 GART (0.42) GARTDHFRATICKDM4EALDH1A1
SCHEMBL9838445 0.76 GART (0.72) GARTDHFRATICTYMS
SCHEMBL9838367 0.76 DHFR (0.51) GARTDHFRATICKDM4EALDH1A1
SCHEMBL9215054 0.74 DHFR (0.37) GARTDHFRATICKDM4EALDH1A1
SCHEMBL9534079 0.73 GART (0.49) GARTDHFRATICKDM4EALDH1A1
SCHEMBL9534086 0.73 GART (0.49) GARTDHFRATICKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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