SCHEMBL9044131

SCHEMBL9044131

Nc1cc2c(O)n(CCc3cc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cs3)cnc-2n1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GART P22102 10/20 0.50
FOLR1 P15328 7/20 0.50
FOLR2 P14207 6/20 0.50
ATIC P31939 8/20 0.49
SLC46A1 Q96NT5 4/20 0.49
SLC19A1 P41440 3/20 0.49
DHFR P00374 3/20 0.41
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
SHMT1 P34896 6/20 0.39
SHMT2 P34897 6/20 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
SCHEMBL9048103 0.94 GART (0.44) GARTFOLR1FOLR2ATICSLC46A1
SCHEMBL9044516 0.86 ATIC (0.52) GARTFOLR1FOLR2ATICSLC46A1
SCHEMBL9043298 0.86 FOLR1 (0.48) GARTFOLR1FOLR2ATICSLC46A1
SCHEMBL573199 0.85 DHFR (0.52) GARTFOLR1FOLR2ATICSLC46A1
SCHEMBL9342476 0.82 ATIC (0.48) GARTFOLR1FOLR2ATICDHFR
SCHEMBL9045385 0.82 FOLR2 (0.51) GARTFOLR1FOLR2ATICSLC46A1
SCHEMBL9047000 0.81 GART (0.43) GARTATICDHFRKDM4EHPGD
SCHEMBL9044532 0.81 ATIC (0.46) GARTFOLR1FOLR2ATICSLC46A1
SCHEMBL9047497 0.81 GART (0.42) GARTFOLR1FOLR2ATICSLC46A1
SCHEMBL9045713 0.80 GART (0.44) GARTATICKDM4EHPGDSHMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0432677-B1 N-(pyrrolo[2,3-d]pyrimidin-3-ylacyl)-glutamic acid derivatives UNIV PRINCETON (US) 1996-03-06 EP claimed
US-5028608-A Antineoplastic Agents THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1991-07-02 US claimed
EP-0432677-A1 N-(pyrrolo[2,3-d]pyrimidin-3-ylacyl)-glutamic acid derivatives THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1991-06-19 EP claimed
EP-0432677-B1 N-(pyrrolo[2,3-d]pyrimidin-3-ylacyl)-glutamic acid derivatives UNIV PRINCETON (US) 1996-03-06 EP disclosed
US-5248775-A Pyrrolo(2,3-d)pyrimidines THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1993-09-28 US disclosed
US-5028608-A Antineoplastic Agents THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1991-07-02 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