SCHEMBL7575979

SCHEMBL7575979

O=C(O)CCC(Nc1ncccn1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 6/20 0.47
FOLH1 Q04609 3/20 0.47
RIMKLA Q8IXN7 1/20 0.47
GGH Q92820 2/20 0.45
GAA P10253 1/20 0.44
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP13 P45452 1/20 0.43
ADAMTS4 O75173 1/20 0.43
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL7575988 1.00 NAALAD2 (0.47) NAALAD2FOLH1RIMKLAGGHGAA
SCHEMBL4456734 0.83 PPARG (0.37) FOLH1GAA
SCHEMBL4455175 0.83 PPARG (0.37) FOLH1GAA
SCHEMBL6558181 0.82 PKLR (0.40) GAA
SCHEMBL6558177 0.82 PKLR (0.40) GAA
SCHEMBL20533611 0.80 MMP2 (0.42) FOLH1MMP9
SCHEMBL4455180 0.79 FOLH1 (0.38) FOLH1GAAKDM4E
SCHEMBL31052801 0.79 GRN (0.46) KDM4E
SCHEMBL13760292 0.79 KDM4E (0.41) FOLH1GAAKDM4E
SCHEMBL5828020 0.79 KDM4E (0.41) FOLH1GAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002101391-A2 METHOD OF USE ELI LILLY AND COMPANY (US) 2002-12-19 WO disclosed
EP-0722440-A1 PYRIMIDINYL-GLUTAMIC ACID DERIVATIVES ELI LILLY AND COMPANY (US) 1996-07-24 EP disclosed
EP-0722440-A1 PYRIMIDINYL-GLUTAMIC ACID DERIVATIVES ELI LILLY AND COMPANY (US) 1996-07-24 EP disclosed
EP-0722440-A4 PYRIMIDINYL-GLUTAMIC ACID DERIVATIVES LILLY CO ELI (US) 1996-06-04 EP disclosed
EP-0722440-A4 PYRIMIDINYL-GLUTAMIC ACID DERIVATIVES LILLY CO ELI (US) 1996-06-04 EP disclosed
US-5426110-A Inhibiting dihydrofolate reductase in mammals and treating susceptible reoplasms ELI LILLY AND COMPANY (US) 1995-06-20 US disclosed
US-5426110-A Inhibiting dihydrofolate reductase in mammals and treating susceptible reoplasms ELI LILLY AND COMPANY (US) 1995-06-20 US disclosed
US-5426110-A Inhibiting dihydrofolate reductase in mammals and treating susceptible reoplasms ELI LILLY AND COMPANY (US) 1995-06-20 US disclosed
WO-1995009845-A1 PYRIMIDINYL-GLUTAMIC ACID DERIVATIVES ELI LILLY AND COMPANY (US) 1995-04-13 WO disclosed
WO-1995009845-A1 PYRIMIDINYL-GLUTAMIC ACID DERIVATIVES ELI LILLY AND COMPANY (US) 1995-04-13 WO disclosed
CN-1014895-B Process for preparation of 4(3H)-oxo-5,6,7,8-tetrahydropyrido-[2,3-d] pyrimidine derivatives UNIV PRINCETON (US) 1991-11-27 CN disclosed
CN-87104596-A 4 (3H)-oxos-5,6,7,8-tetrahydropyridine are the preparation method of [2,3-d] pyrimidine derivatives also 1988-01-20 CN disclosed