SCHEMBL7745908

SCHEMBL7745908

Nc1nc2c(c(=O)[nH]1)C[C@@H](CCc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)s1)CN2

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GART P22102 13/20 0.75
FOLR1 P15328 10/20 0.59
SLC46A1 Q96NT5 7/20 0.58
SLC19A1 P41440 5/20 0.58
ATIC P31939 4/20 0.58
FOLR2 P14207 3/20 0.58
SHMT1 P34896 1/20 0.55
SHMT2 P34897 1/20 0.55

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
SCHEMBL20659947 0.88 GART (0.62) GARTFOLR1SLC46A1SLC19A1ATIC
SCHEMBL1065450 0.88 GART (0.62) GARTFOLR1SLC46A1SLC19A1ATIC
SCHEMBL27529613 0.88 GART (0.62) GARTFOLR1SLC46A1SLC19A1ATIC
SCHEMBL6829597 0.88 GART (0.62) GARTFOLR1SLC46A1SLC19A1ATIC
SCHEMBL1065440 0.88 GART (0.62) GARTFOLR1SLC46A1SLC19A1ATIC
SCHEMBL7737816 0.87 GART (0.57) GARTFOLR1SLC46A1SLC19A1ATIC
SCHEMBL9383067 0.86 DHFR (0.59) GARTFOLR1SLC46A1SLC19A1ATIC
SCHEMBL9381796 0.86 DHFR (0.59) GARTFOLR1SLC46A1SLC19A1ATIC
SCHEMBL14403392 0.86 DHFR (0.59) GARTFOLR1SLC46A1SLC19A1ATIC
SCHEMBL9380609 0.86 DHFR (0.59) GARTFOLR1SLC46A1SLC19A1ATIC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6426417-B1 CYCLIZATION OF A CYANO-ESTER DERIVATIVE WITH 2,6-DIAMINO-6-HYDROXYPYRIMIDINE IN THE PRESENCE OF ACETIC ACID AND ACETONITRILE ELI LILLY AND COMPANY 2002-07-30 US disclosed