SCHEMBL9837156

SCHEMBL9837156

CC(=O)Nc1nc2c(c(=O)[nH]1)CC(CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)CN2

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GART P22102 5/20 0.59
SOST Q9BQB4 1/20 0.56
ATIC P31939 3/20 0.55
DHFR P00374 1/20 0.52
MTHFD1 P11586 3/20 0.51
FPGS Q05932 2/20 0.49
MTHFD2 P13995 2/20 0.44

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
SCHEMBL10512730 0.88 GART (0.78) GARTSOSTATICDHFRMTHFD1
SCHEMBL10512772 0.88 GART (0.78) GARTSOSTATICDHFRMTHFD1
SCHEMBL9837105 0.87 GART (0.77) GARTSOSTATICDHFRMTHFD1
SCHEMBL10519237 0.86 GART (0.44) GARTSOSTATICDHFRMTHFD1
SCHEMBL9836207 0.86 GART (0.44) GARTSOSTATICDHFRMTHFD1
SCHEMBL12421755 0.81 GART (0.65) GARTSOSTATICDHFRMTHFD1
SCHEMBL10512755 0.80 GART (0.61) GARTSOSTATICDHFRMTHFD1
SCHEMBL29692685 0.79 GART (0.65) GARTSOSTATICDHFRMTHFD1
SCHEMBL29692334 0.79 FPGS (0.72) GARTSOSTATICDHFRMTHFD1
SCHEMBL9836738 0.77 GART (0.73) GARTSOSTATICDHFRMTHFD1

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
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