SCHEMBL6932340

SCHEMBL6932340

NC(COc1cncc(-c2ccc3[nH]ncc(=O)c3c2)c1)Cc1c[nH]c2ccccc12

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 19/20 0.79
PRKACA P17612 5/20 0.79
PRKACG P22612 2/20 0.79
PRKACB P22694 2/20 0.79
AKT3 Q9Y243 5/20 0.70
ROCK2 O75116 4/20 0.70
PIM1 P11309 4/20 0.70
AKT2 P31751 4/20 0.70
GSK3A P49840 4/20 0.70
GSK3B P49841 4/20 0.70
RPS6KA3 P51812 4/20 0.70
ROCK1 Q13464 4/20 0.70
PRKD2 Q9BZL6 4/20 0.70
PIM2 Q9P1W9 4/20 0.70
DYRK3 O43781 3/20 0.70
PRKD3 O94806 3/20 0.70
MAP4K4 O95819 3/20 0.70
PRKCG P05129 3/20 0.70
PHKG2 P15735 3/20 0.70
CDK2 P24941 3/20 0.70

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
SCHEMBL6855691 1.00 AKT1 (0.79) AKT1PRKACAPRKACGPRKACBAKT3
SCHEMBL6855666 1.00 AKT1 (0.79) AKT1PRKACAPRKACGPRKACBAKT3
SCHEMBL6854499 0.89 AKT1 (1.00) AKT1PRKACAPRKACGPRKACBAKT3
SCHEMBL6855274 0.87 AKT1 (1.00) AKT1PRKACAPRKACGPRKACBAKT3
SCHEMBL6855942 0.87 AKT1 (0.86) AKT1PRKACAPRKACGPRKACBAKT3
A-443654 SCHEMBL19859268 0.86 AKT1 (0.85) AKT1PRKACAPRKACGPRKACBAKT3
A-443654 SCHEMBL6855479 0.86 AKT1 (0.85) AKT1PRKACAPRKACGPRKACBAKT3
A-443654 SCHEMBL2738467 0.86 AKT1 (0.85) AKT1PRKACAPRKACGPRKACBAKT3
A-443654 SCHEMBL29644958 0.86 AKT1 (0.85) AKT1PRKACAPRKACGPRKACBAKT3
A-443654 SCHEMBL29374078 0.86 AKT1 (0.85) AKT1PRKACAPRKACGPRKACBAKT3

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