SCHEMBL6928677

SCHEMBL6928677

COc1ccc2[nH]cc(CC(COc3cncc(-c4ccc5c(c4)c(C)nn5C(=O)OC(C)(C)C)c3)NC(=O)OC(C)(C)C)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 14/20 0.44
DYRK3 O43781 1/20 0.44
ROCK2 O75116 1/20 0.44
PRKD3 O94806 1/20 0.44
PRKCG P05129 1/20 0.44
LCK P06239 1/20 0.44
CDK1 P06493 1/20 0.44
PIM1 P11309 1/20 0.44
PRKACA P17612 1/20 0.44
RPS6KB1 P23443 1/20 0.44
CDK2 P24941 1/20 0.44
AKT2 P31751 1/20 0.44
FLT4 P35916 1/20 0.44
KDR P35968 1/20 0.44
FLT3 P36888 1/20 0.44
MAPK8 P45983 1/20 0.44
MAPK9 P45984 1/20 0.44
CLK2 P49760 1/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 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
SCHEMBL6854836 1.00 AKT1 (0.44) AKT1DYRK3ROCK2PRKD3PRKCG
SCHEMBL6854838 1.00 AKT1 (0.44) AKT1DYRK3ROCK2PRKD3PRKCG
SCHEMBL6855249 0.93 AKT1 (0.43) AKT1DYRK3ROCK2PRKD3PRKCG
SCHEMBL7172167 0.93 AKT1 (0.44) AKT1DYRK3ROCK2PRKD3PRKCG
SCHEMBL6854641 0.93 AKT1 (0.44) AKT1DYRK3ROCK2PRKD3PRKCG
SCHEMBL6854636 0.93 AKT1 (0.44) AKT1DYRK3ROCK2PRKD3PRKCG
SCHEMBL6830518 0.83 AAK1 (0.38) AKT1DYRK3ROCK2PRKD3PRKCG
SCHEMBL6830516 0.83 AAK1 (0.38) AKT1DYRK3ROCK2PRKD3PRKCG
SCHEMBL6855453 0.79 AKT1 (0.58) AKT1DYRK3ROCK2PRKD3PRKCG
SCHEMBL6855460 0.79 AKT1 (0.58) AKT1DYRK3ROCK2PRKD3PRKCG

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