SCHEMBL9045713

SCHEMBL9045713

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

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GART P22102 12/20 0.44
▸ ATIC P31939 10/20 0.41
▸ TYMS P04818 3/20 0.41
▸ SHMT1 P34896 7/20 0.40
▸ SHMT2 P34897 7/20 0.40
▸ FOLH1 Q04609 4/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ADCY5 O95622 1/20 0.38
▸ NOD1 Q9Y239 1/20 0.37

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
SCHEMBL9045220 1.00 GART (0.44) GARTATICTYMSSHMT1SHMT2
SCHEMBL9047000 0.99 GART (0.43) GARTATICTYMSSHMT1SHMT2
SCHEMBL573199 0.82 DHFR (0.52) GARTATICTYMSSHMT1SHMT2
SCHEMBL9044131 0.80 GART (0.50) GARTATICSHMT1SHMT2KDM4E
SCHEMBL9044516 0.80 ATIC (0.52) GARTATICSHMT1SHMT2
SCHEMBL9043298 0.80 FOLR1 (0.48) GARTATICSHMT1SHMT2KDM4E
SCHEMBL9342476 0.80 ATIC (0.48) GARTATICTYMSSHMT1SHMT2
SCHEMBL9045385 0.79 FOLR2 (0.51) GARTATICSHMT1SHMT2
SCHEMBL9046824 0.78 ATIC (0.55) GARTATICTYMSSHMT1SHMT2
SCHEMBL9048702 0.77 DHFR (0.47) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5028608-A Antineoplastic Agents THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1991-07-02 — — 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
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
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