SCHEMBL8554013

SCHEMBL8554013

CC(=O)Nc1ccc2c(c1)[nH]c(=O)c1nc(OC(=O)O)c(C)n12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.46
CHEK1 O14757 2/20 0.43
DAPK3 O43293 1/20 0.43
PRKD3 O94806 1/20 0.43
MET P08581 1/20 0.43
PDGFRA P16234 1/20 0.43
FLT1 P17948 1/20 0.43
LTK P29376 1/20 0.43
GRK5 P34947 1/20 0.43
CDK8 P49336 1/20 0.43
PRKX P51817 1/20 0.43
NEK2 P51955 1/20 0.43
LIMK1 P53667 1/20 0.43
CDK5 Q00535 1/20 0.43
ACVR1 Q04771 1/20 0.43
TYRO3 Q06418 1/20 0.43
PRKAA1 Q13131 1/20 0.43
DYRK1A Q13627 1/20 0.43
IKBKE Q14164 1/20 0.43
LRRK2 Q5S007 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
SCHEMBL8555096 0.89 ADORA3 (0.53) ADORA3CHEK1DAPK3PRKD3MET
SCHEMBL8557555 0.83 PDE5A (0.45) ADORA3CHEK1DAPK3PRKD3MET
SCHEMBL8559120 0.83 ADORA3 (0.50) ADORA3GRIN1GRIN2B
SCHEMBL8558977 0.81 PDE5A (0.38) ADORA3CHEK1DAPK3PRKD3MET
SCHEMBL8557418 0.80 PDE5A (0.49) ADORA3ALDH1A1HPGDMEN1KMT2A
SCHEMBL8557905 0.80 GRIN2D (0.43) ADORA3CHEK1DAPK3PRKD3MET
SCHEMBL8553821 0.80 POLB (0.49) ADORA3KDM4EALDH1A1HPGDPOLB
SCHEMBL8553483 0.79 CHEK1 (0.43) ADORA3CHEK1DAPK3PRKD3MET
SCHEMBL8557421 0.79 EGLN1 (0.38) ADORA3CHEK1DAPK3PRKD3MET
SCHEMBL8552666 0.78 PDE9A (0.38) ADORA3CHEK1DAPK3PRKD3MET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0691970-B1 IMIDAZOLOQUINOXALINONE DERIVATIVES AS EAA ANTAGONISTS BASF AG (DE) 1998-11-11 EP disclosed