SCHEMBL9687628

SCHEMBL9687628

Nc1nc(N)c(CCNc2ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc2)c(=O)[nH]1

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GART P22102 19/20 0.75
ATIC P31939 2/20 0.75
MTHFD1 P11586 1/20 0.67
MTHFD2 P13995 1/20 0.67

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
SCHEMBL9688062 0.94 GART (0.79) GARTATIC
SCHEMBL10419882 0.94 GART (0.80) GARTATIC
SCHEMBL9687649 0.94 GART (0.66) GARTATICMTHFD1MTHFD2
SCHEMBL10420648 0.91 GART (0.77) GARTATIC
SCHEMBL9687525 0.91 GART (0.74) GARTATIC
SCHEMBL10419875 0.91 GART (0.74) GARTATIC
SCHEMBL10518093 0.88 GART (0.63) GARTATIC
SCHEMBL9687536 0.88 GART (0.70) GARTATIC
SCHEMBL10419878 0.88 GART (0.70) GARTATIC
SCHEMBL9688385 0.88 GART (0.70) GARTATIC

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
EP-0268377-B1 GLUTAMIC ACID DERIVATIVES, PROCESSES AND INTERMEDIATES FOR THEIR PREPARATION AND PHARMACEUTICAL FORMULATIONS CONTAINING THEM THE WELLCOME FOUNDATION LIMITED (GB) 1992-03-18 EP claimed
EP-0268377-B1 GLUTAMIC ACID DERIVATIVES, PROCESSES AND INTERMEDIATES FOR THEIR PREPARATION AND PHARMACEUTICAL FORMULATIONS CONTAINING THEM THE WELLCOME FOUNDATION LIMITED (GB) 1992-03-18 EP disclosed
US-4940713-A ANTITUMOR AGENTS BURROUGHS WELLCOME CO. (US) 1990-07-10 US disclosed
US-4880812-A ANTITUMOR AGENTS BURROUGHS WELLCOME CO. (US) 1989-11-14 US disclosed
EP-0268377-A2 Glutamic acid derivatives, processes and intermediates for their preparation and pharmaceutical formulations containing them THE WELLCOME FOUNDATION LIMITED (GB) 1988-05-25 EP disclosed