SCHEMBL9524546

SCHEMBL9524546

Nc1nc(O)c2c(n1)NCC(CCc1cccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)c1F)C2

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GART P22102 10/20 0.54
DHFR P00374 3/20 0.42
ATIC P31939 2/20 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
SCHEMBL9523203 0.93 GART (0.54) GARTDHFRATIC
SCHEMBL9387913 0.86 GART (0.53) GARTDHFRATIC
SCHEMBL9524456 0.85 GART (0.59) GARTDHFRATIC
SCHEMBL9527115 0.85 GART (0.59) GARTDHFRATIC
SCHEMBL9523303 0.85 GART (0.59) GARTDHFRATIC
SCHEMBL9523528 0.85 GART (0.59) GARTDHFRATIC
SCHEMBL9384395 0.84 GART (0.55) GARTDHFRATIC
SCHEMBL9382515 0.84 GART (0.55) GARTDHFRATIC
SCHEMBL8819504 0.84 GART (0.55) GARTDHFRATIC
SCHEMBL9525601 0.84 GART (0.54) GARTDHFRATIC

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 3 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 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