SCHEMBL6930871

SCHEMBL6930871

NC(COc1cncc(-c2ccc3c(c2)C(=NO)C(=O)N3)c1)Cc1c[nH]c2ccccc12

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 18/20 0.81
CHEK1 O14757 2/20 0.70
PDPK1 O15530 2/20 0.69
DYRK3 O43781 2/20 0.69
ROCK2 O75116 2/20 0.69
RPS6KA5 O75582 2/20 0.69
PRKD3 O94806 2/20 0.69
MAP4K4 O95819 2/20 0.69
PRKCG P05129 2/20 0.69
CDK1 P06493 2/20 0.69
PHKG2 P15735 2/20 0.69
PRKACA P17612 2/20 0.69
CDK2 P24941 2/20 0.69
MARK3 P27448 2/20 0.69
MAPK1 P28482 2/20 0.69
AXL P30530 2/20 0.69
FLT4 P35916 2/20 0.69
FLT3 P36888 2/20 0.69
MAPKAPK2 P49137 2/20 0.69
GSK3A P49840 2/20 0.69

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
SCHEMBL6855185 1.00 AKT1 (0.81) AKT1CHEK1PDPK1DYRK3ROCK2
SCHEMBL6855173 1.00 AKT1 (0.81) AKT1CHEK1PDPK1DYRK3ROCK2
SCHEMBL6855160 1.00 AKT1 (0.81) AKT1CHEK1PDPK1DYRK3ROCK2
SCHEMBL6850583 0.87 AKT1 (1.00) AKT1CHEK1PDPK1DYRK3ROCK2
SCHEMBL6850590 0.87 AKT1 (1.00) AKT1CHEK1PDPK1DYRK3ROCK2
SCHEMBL7248362 0.87 AKT1 (1.00) AKT1CHEK1PDPK1DYRK3ROCK2
SCHEMBL6851363 0.86 AKT1 (0.81) AKT1CHEK1PDPK1DYRK3ROCK2
SCHEMBL6851376 0.86 AKT1 (0.81) AKT1CHEK1PDPK1DYRK3ROCK2
SCHEMBL6854506 0.84 CHEK1 (0.82) AKT1CHEK1PDPK1DYRK3ROCK2
SCHEMBL6849875 0.84 CHEK1 (0.82) AKT1CHEK1PDPK1DYRK3ROCK2

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-1463505-A2 3-(PHENYL-ALKOXY)-5-(PHENYL)-PYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER Abbott Laboratories (US) 2004-10-06 EP disclosed
WO-2003051366-A2 3-(PHENYL-ALKOXY)-5-(PHENYL)-PYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER ABBOTT LABORATORIES (US) 2003-06-26 WO disclosed