SCHEMBL9523528

SCHEMBL9523528

Nc1nc(O)c2c(n1)NCC(CCc1ccc(F)c(C(=O)N[C@@H](CCC(=O)O)C(=O)O)c1)C2

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GART P22102 9/20 0.59
DHFR P00374 2/20 0.47
ATIC P31939 3/20 0.44
FOLR2 P14207 2/20 0.43
FOLR1 P15328 2/20 0.43
SLC46A1 Q96NT5 2/20 0.43
SLC19A1 P41440 1/20 0.43

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
SCHEMBL9523303 0.94 GART (0.59) GARTDHFRATICFOLR2FOLR1
SCHEMBL9526912 0.90 GART (0.59) GARTDHFRATIC
SCHEMBL9524597 0.89 GART (0.53) GARTDHFRATICFOLR2FOLR1
SCHEMBL9524506 0.88 GART (0.60) GARTDHFRATIC
Lometrexol SCHEMBL12022771 0.88 GART (0.75) GARTDHFRATIC
Lometrexol SCHEMBL9045915 0.88 GART (0.75) GARTDHFRATIC
SCHEMBL8819976 0.88 GART (0.59) GARTDHFRATIC
SCHEMBL7487513 0.87 GART (0.71) GARTDHFRATIC
SCHEMBL9523254 0.87 GART (0.62) GARTDHFRATIC
SCHEMBL9527115 0.86 GART (0.59) GARTDHFRATICFOLR2FOLR1

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
EP-0327190-B1 Pyrido(2,3-d)pyrimidine derivatives UNIV PRINCETON (US) 1993-12-08 EP claimed
US-4889859-A ANTITUMOR AGENTS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1989-12-26 US claimed
EP-0327190-A1 Pyrido(2,3-d)pyrimidine derivatives THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1989-08-09 EP claimed
EP-0327190-B1 Pyrido(2,3-d)pyrimidine derivatives UNIV PRINCETON (US) 1993-12-08 EP disclosed
US-4889859-A ANTITUMOR AGENTS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1989-12-26 US disclosed
EP-0327190-A1 Pyrido(2,3-d)pyrimidine derivatives THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1989-08-09 EP disclosed