SCHEMBL6602465

SCHEMBL6602465

CCOC(=O)c1nc2cc(C)c([N+](=O)[O-])cc2[nH]c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.53
DAPK3 O43293 1/20 0.53
PRKD3 O94806 1/20 0.53
MET P08581 1/20 0.53
PDGFRA P16234 1/20 0.53
FLT1 P17948 1/20 0.53
LTK P29376 1/20 0.53
GRK5 P34947 1/20 0.53
CDK8 P49336 1/20 0.53
PRKX P51817 1/20 0.53
NEK2 P51955 1/20 0.53
LIMK1 P53667 1/20 0.53
CDK5 Q00535 1/20 0.53
ACVR1 Q04771 1/20 0.53
TYRO3 Q06418 1/20 0.53
PRKAA1 Q13131 1/20 0.53
DYRK1A Q13627 1/20 0.53
IKBKE Q14164 1/20 0.53
LRRK2 Q5S007 1/20 0.53
TAOK1 Q7L7X3 1/20 0.53

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
SCHEMBL9704323 0.93 GAA (0.53) CHEK1DAPK3PRKD3METPDGFRA
SCHEMBL6608335 0.89 CHEK1 (0.49) CHEK1DAPK3PRKD3METPDGFRA
SCHEMBL6605386 0.89 CHEK1 (0.49) CHEK1DAPK3PRKD3METPDGFRA
SCHEMBL6607094 0.86 CHEK1 (0.47) CHEK1DAPK3PRKD3METPDGFRA
SCHEMBL6377308 0.85 CHEK1 (0.46) CHEK1DAPK3PRKD3METPDGFRA
SCHEMBL6705309 0.85 ALDH1A1 (0.46)
SCHEMBL6602535 0.84 GRIA1 (0.55)
SCHEMBL9703937 0.81 KCNJ1 (0.54)
SCHEMBL11371536 0.81 MAPT (0.48) CHEK1DAPK3PRKD3METPDGFRA
SCHEMBL11450932 0.79 CHEK1 (0.48) CHEK1DAPK3PRKD3METPDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1020453-B1 6,7-ASYMMETRICALLY DISUBSTITUTED QUINOXALINECARBOXYLIC ACID DERIVATIVES, ADDITION SALTS THEREOF, AND PROCESSES FOR THE PREPARATION OF BOTH KYORIN SEIYAKU KK (JP) 2004-05-19 EP disclosed
US-6348461-B1 CENTRAL NERVOUS SYSTEM ANTAGONIST WITH HETEROCYCLIC SUBSTITUENTS KYORIN PHARMACEUTICAL CO., LTD. (JP) 2002-02-19 US disclosed
EP-1020453-A1 6,7-ASYMMETRICALLY DISUBSTITUTED QUINOXALINECARBOXYLIC ACID DERI VATIVES, ADDITION SALTS THEREOF, AND PROCESSES FOR THE PREPARATION OF BOTH KYORIN PHARMACEUTICAL CO., LTD. (JP) 2000-07-19 EP disclosed