SCHEMBL4940336

SCHEMBL4940336

Nc1cncnc1.O=c1[nH]cc(CO)c(=O)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.37
DPYD Q12882 1/20 0.37
AURKA O14965 1/20 0.36
TTK P33981 1/20 0.36
AURKB Q96GD4 1/20 0.36
INCENP Q9NQS7 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL44459 0.82 GAA (0.52) GAADPYDMAPT
Water SCHEMBL11272295 0.80 GAA (0.50) GAADPYDMAPT
Water SCHEMBL6482818 0.80 GAA (0.50) GAADPYDMAPT
SCHEMBL28633880 0.77 GAA (0.44) GAADPYDMAPT
SCHEMBL29002023 0.76 GAA (0.37) GAAMAPT
Phosphoric Acid SCHEMBL29493371 0.75 GAA (0.45) GAADPYDMAPT
Uracil SCHEMBL29116490 0.70 CRBN (0.57) GAAMAPT
SCHEMBL7070324 0.68 GAA (0.50) GAADPYDMAPT
SCHEMBL2037916 0.67 DPYD (0.46) GAADPYDMAPT
SCHEMBL29266086 0.67 GAA (0.37) GAAMAPT

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-1937812-A2 METHODS AND COMPOSITIONS FOR TREATING IMMUNE DISORDERS Cancer Research Technology Limited (GB) 2008-07-02 EP disclosed
WO-2007042554-A2 METHODS AND COMPOSITIONS FOR TREATING IMMUNE DISORDERS CANCER RESEARCH TECHNOLOGY LTD. (GB) 2007-04-19 WO disclosed