SCHEMBL4695840

SCHEMBL4695840

COc1ccc(F)cc1C(C)(C)CC(O)(CNc1nc(C)nc2c1cnn2-c1cccc(C(=O)O)c1)C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 20/20 0.57
PGR P06401 6/20 0.52
NR3C2 P08235 9/20 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
SCHEMBL4696367 0.94 NR3C1 (0.56) NR3C1PGRNR3C2
SCHEMBL5009719 0.92 NR3C1 (0.54) NR3C1PGRNR3C2
SCHEMBL5007683 0.91 NR3C1 (0.61) NR3C1PGRNR3C2
SCHEMBL5007657 0.88 NR3C1 (0.61) NR3C1PGRNR3C2
SCHEMBL14931943 0.88 NR3C1 (0.64) NR3C1PGRNR3C2
SCHEMBL4694320 0.87 NR3C1 (0.55) NR3C1PGRNR3C2
SCHEMBL5009192 0.87 NR3C1 (0.56) NR3C1PGRNR3C2
SCHEMBL5007639 0.86 NR3C1 (0.56) NR3C1PGRNR3C2
SCHEMBL4751830 0.86 NR3C1 (0.78) NR3C1PGRNR3C2
SCHEMBL1776758 0.85 NR3C1 (0.74) NR3C1PGRNR3C2

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-1945642-A1 PYRAZOLO-PYRIMIDINE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS GLAXO GROUP LIMITED (GB) 2008-07-23 EP claimed
WO-2007054294-A1 PYRAZOLO-PYRIMIDINE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS GLAXO GROUP LIMITED (GB) 2007-05-18 WO claimed
EP-1945642-A1 PYRAZOLO-PYRIMIDINE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS GLAXO GROUP LIMITED (GB) 2008-07-23 EP disclosed
WO-2007054294-A1 PYRAZOLO-PYRIMIDINE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS GLAXO GROUP LIMITED (GB) 2007-05-18 WO disclosed