SCHEMBL9263123

SCHEMBL9263123

Nc1nc(O)c2c(n1)NCC(Cc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)C2

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GART P22102 7/20 0.63
ATIC P31939 3/20 0.54
DHFR P00374 2/20 0.47
TYMS P04818 1/20 0.47

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
Lometrexol SCHEMBL12022771 0.92 GART (0.75) GARTATICDHFRTYMS
Lometrexol SCHEMBL9045915 0.92 GART (0.75) GARTATICDHFRTYMS
SCHEMBL9216180 0.91 GART (0.60) GARTATICDHFRTYMS
SCHEMBL9211704 0.91 GART (0.60) GARTATICDHFRTYMS
SCHEMBL9211691 0.91 GART (0.60) GARTATICDHFRTYMS
SCHEMBL9207703 0.91 GART (0.60) GARTATICDHFRTYMS
SCHEMBL9048275 0.90 GART (0.69) GARTATICDHFR
SCHEMBL7488545 0.89 GART (0.71) GARTATICDHFRTYMS
SCHEMBL7487513 0.89 GART (0.71) GARTATICDHFRTYMS
SCHEMBL9534949 0.87 GART (0.58) GARTATICDHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5473071-A Process for the preparation of fused pyridine compounds TRUSTEES OF PRINCETON UNIVERSITY (US) 1995-12-05 US claimed
US-5473071-A Process for the preparation of fused pyridine compounds TRUSTEES OF PRINCETON UNIVERSITY (US) 1995-12-05 US disclosed
US-4895946-A Process for the preparation of fused pyridine compounds THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1990-01-23 US disclosed
EP-0314280-A2 Process for the preparation of fused pyridine compounds THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1989-05-03 EP disclosed