SCHEMBL9216929

SCHEMBL9216929

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

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GART P22102 7/20 0.56
ATIC P31939 4/20 0.54
DHFR P00374 5/20 0.49
TYMS P04818 1/20 0.44

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
SCHEMBL9210960 1.00 GART (0.56) GARTATICDHFRTYMS
SCHEMBL9207767 1.00 GART (0.56) GARTATICDHFRTYMS
SCHEMBL9210939 1.00 GART (0.56) GARTATICDHFRTYMS
SCHEMBL9215589 0.95 GART (0.50) GARTATICDHFRTYMS
SCHEMBL9219680 0.95 GART (0.50) GARTATICDHFRTYMS
SCHEMBL9263123 0.87 GART (0.63) GARTATICDHFRTYMS
SCHEMBL9207703 0.86 GART (0.60) GARTATICDHFRTYMS
SCHEMBL9211691 0.86 GART (0.60) GARTATICDHFRTYMS
SCHEMBL9211704 0.86 GART (0.60) GARTATICDHFRTYMS
SCHEMBL9216180 0.86 GART (0.60) GARTATICDHFRTYMS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0344922-B1 N-(N-(tetrahydropyrido(2,3-d)pyrimidinylmethyl)-aminomethylbenzoyl)glutamic acid derivatives UNIV PRINCETON (US) 1995-10-18 EP claimed
US-4871746-A N-[N-(tetrahydropyrido[2,3-D]pyrimidinylmethyl)-aminomethylbenzoyl]glutamic acid derivatives as neoplastic growth inhibitors THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1989-10-03 US claimed