SCHEMBL9038667

SCHEMBL9038667

Nc1nc(N)c(CCCCc2ccc(C(=O)O)cc2)c(=O)[nH]1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GART P22102 16/20 0.64
ATIC P31939 1/20 0.64
DHODH Q02127 2/20 0.47
RARB P10826 1/20 0.43

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
SCHEMBL9215453 0.88 GART (0.52) GARTATICDHODHRARB
SCHEMBL9794867 0.84 GART (0.66) GARTATIC
SCHEMBL9688625 0.83 GART (0.55) GARTATIC
SCHEMBL9794840 0.83 GART (0.66) GARTATIC
SCHEMBL7609762 0.80 GART (0.66) GARTATIC
Dideazaacyclotetrahydrofolic Acid SCHEMBL14469101 0.79 GART (1.00) GARTATIC
SCHEMBL7257720 0.77 GART (0.49) GARTATIC
SCHEMBL7612737 0.77 GART (0.65) GARTATIC
SCHEMBL9338914 0.77 CYP2D6 (0.56) RARB
SCHEMBL5499213 0.77 GART (0.78) GARTATIC

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
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
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