SCHEMBL4696723

SCHEMBL4696723

CCc1nc(NCC(O)(CC(C)(C)c2cccc3c2OCC3)C(F)(F)F)c2cnn(-c3cccc(C(=O)O)c3)c2n1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 19/20 0.43
PGR P06401 5/20 0.43
NR3C2 P08235 5/20 0.43
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
AR P10275 1/20 0.39

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
SCHEMBL5009707 0.93 NR3C1 (0.42) NR3C1PGRNR3C2MEN1NPC1
SCHEMBL4697792 0.92 MEN1 (0.49) NR3C1PGRNR3C2MEN1NPC1
SCHEMBL4697276 0.88 NR3C1 (0.42) NR3C1PGRNR3C2MEN1NPC1
SCHEMBL4697677 0.88 NR3C1 (0.47) NR3C1PGRNR3C2MEN1NPC1
SCHEMBL4697274 0.88 NR3C1 (0.44) NR3C1PGRNR3C2MEN1NPC1
SCHEMBL4695856 0.88 NR3C1 (0.48) NR3C1PGRNR3C2MEN1NPC1
SCHEMBL14931967 0.87 NR3C1 (0.53) NR3C1PGRNR3C2AR
SCHEMBL4695634 0.86 NR3C1 (0.42) NR3C1PGRNR3C2MEN1NPC1
SCHEMBL4694685 0.86 NR3C1 (0.42) NR3C1PGRNR3C2MEN1NPC1
SCHEMBL4694709 0.84 NR3C1 (0.44) NR3C1PGRNR3C2MEN1NPC1

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