SCHEMBL9045385

SCHEMBL9045385

Nc1cc2c(O)n(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3F)cnc-2n1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FOLR2 P14207 2/20 0.51
FOLR1 P15328 2/20 0.51
SLC46A1 Q96NT5 2/20 0.51
GART P22102 10/20 0.43
DHFR P00374 5/20 0.43
ATIC P31939 8/20 0.42
SHMT1 P34896 8/20 0.42
SHMT2 P34897 8/20 0.42
SLC19A1 P41440 1/20 0.40

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
SCHEMBL573199 0.87 DHFR (0.52) FOLR2FOLR1SLC46A1GARTDHFR
SCHEMBL9046824 0.85 ATIC (0.55) FOLR2FOLR1SLC46A1GARTDHFR
SCHEMBL9044516 0.82 ATIC (0.52) FOLR2FOLR1SLC46A1GARTATIC
SCHEMBL9044131 0.82 GART (0.50) FOLR2FOLR1SLC46A1GARTDHFR
SCHEMBL9044214 0.81 DHFR (0.46) FOLR2FOLR1SLC46A1GARTDHFR
SCHEMBL9342476 0.81 ATIC (0.48) FOLR2FOLR1GARTDHFRATIC
SCHEMBL9043298 0.80 FOLR1 (0.48) FOLR2FOLR1SLC46A1GARTDHFR
SCHEMBL9047000 0.80 GART (0.43) GARTDHFRATICSHMT1SHMT2
SCHEMBL9045713 0.79 GART (0.44) GARTATICSHMT1SHMT2
SCHEMBL9045220 0.79 GART (0.44) GARTATICSHMT1SHMT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5344932-A N-(pyrrolo(2,3-d)pyrimidin-3-ylacyl)-glutamic acid derivatives TRUSTEES OF PRINCETON UNIVERSITY (US) 1994-09-06 US claimed
EP-0432677-B1 N-(pyrrolo[2,3-d]pyrimidin-3-ylacyl)-glutamic acid derivatives UNIV PRINCETON (US) 1996-03-06 EP disclosed
US-5344932-A N-(pyrrolo(2,3-d)pyrimidin-3-ylacyl)-glutamic acid derivatives TRUSTEES OF PRINCETON UNIVERSITY (US) 1994-09-06 US disclosed
US-5248775-A Pyrrolo(2,3-d)pyrimidines THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1993-09-28 US disclosed
EP-0432677-A1 N-(pyrrolo[2,3-d]pyrimidin-3-ylacyl)-glutamic acid derivatives THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1991-06-19 EP disclosed