SCHEMBL6928074

SCHEMBL6928074

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

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 19/20 0.82
AKT3 Q9Y243 4/20 0.71
GSK3A P49840 3/20 0.71
RPS6KA3 P51812 3/20 0.71
PRKD2 Q9BZL6 3/20 0.71
PIM2 Q9P1W9 3/20 0.71
DYRK3 O43781 2/20 0.71
PRKD3 O94806 2/20 0.71
CSNK1D P48730 2/20 0.71
CLK2 P49760 2/20 0.71
STK3 Q13188 2/20 0.71
CAMK2B Q13554 2/20 0.71
CAMK2G Q13555 2/20 0.71
PRKCD Q05655 2/20 0.71
DYRK1A Q13627 2/20 0.71
EEF2K O00418 1/20 0.71
ERBB4 Q15303 1/20 0.71
CLK4 Q9HAZ1 1/20 0.71
PRKACA P17612 3/20 0.70
PRKACG P22612 2/20 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
SCHEMBL6854572 1.00 AKT1 (0.82) AKT1AKT3GSK3ARPS6KA3PRKD2
SCHEMBL6854587 1.00 AKT1 (0.82) AKT1AKT3GSK3ARPS6KA3PRKD2
SCHEMBL6854804 0.91 AKT1 (0.79) AKT1AKT3GSK3ARPS6KA3PRKD2
SCHEMBL6854813 0.91 AKT1 (0.79) AKT1AKT3GSK3ARPS6KA3PRKD2
SCHEMBL7151107 0.91 AKT1 (0.79) AKT1AKT3GSK3ARPS6KA3PRKD2
SCHEMBL6855274 0.91 AKT1 (1.00) AKT1AKT3GSK3ARPS6KA3PRKD2
SCHEMBL7161667 0.89 AKT1 (1.00) AKT1AKT3GSK3ARPS6KA3PRKD2
SCHEMBL6854548 0.89 AKT1 (1.00) AKT1AKT3GSK3ARPS6KA3PRKD2
A-443654 SCHEMBL19859268 0.88 AKT1 (0.85) AKT1AKT3GSK3ARPS6KA3PRKD2
A-443654 SCHEMBL2738467 0.88 AKT1 (0.85) AKT1AKT3GSK3ARPS6KA3PRKD2

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