SCHEMBL6502898

SCHEMBL6502898

O=C(NC1CCOCC1)c1cc(Nc2ccccc2)cc(-c2ccnc(NC(=O)C3CCOCC3)c2)c1

nearest known ligand 0.81

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIP5K1C O60331 19/20 0.81
PIK3CA P42336 15/20 0.81
PIK3CD O00329 2/20 0.81
PIP5K1B O14986 2/20 0.81
PDGFRB P09619 2/20 0.81
PIK3CB P42338 2/20 0.81
PI4KA P42356 2/20 0.81
PIK3CG P48736 2/20 0.81
PDK1 Q15118 2/20 0.81
PIP5K1A Q99755 2/20 0.81
PI4KB Q9UBF8 2/20 0.81
MAPK8 P45983 1/20 0.70
MAPK10 P53779 1/20 0.70
MAPK14 Q16539 1/20 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
SCHEMBL6507989 0.91 PIP5K1C (0.84) PIP5K1CPIK3CAPIK3CDPIP5K1BPDGFRB
SCHEMBL6500541 0.89 PIP5K1C (0.82) PIP5K1CPIK3CAPIK3CDPIP5K1BPDGFRB
SCHEMBL6508666 0.88 PIP5K1C (0.69) PIP5K1CPIK3CAPIK3CDPIP5K1BPDGFRB
SCHEMBL6501154 0.88 PIP5K1C (0.74) PIP5K1CPIK3CAPIK3CDPIP5K1BPDGFRB
SCHEMBL6507769 0.87 PIP5K1C (0.82) PIP5K1CPIK3CAPIK3CDPIP5K1BPDGFRB
SCHEMBL6507411 0.87 PIP5K1C (0.80) PIP5K1CPIK3CAPIK3CDPIP5K1BPDGFRB
SCHEMBL6507692 0.86 PIP5K1C (0.78) PIP5K1CPIK3CAPIK3CDPIP5K1BPDGFRB
SCHEMBL6502740 0.86 PIP5K1C (0.77) PIP5K1CPIK3CAPIK3CDPIP5K1BPDGFRB
SCHEMBL6509374 0.86 PIP5K1C (0.80) PIP5K1CPIK3CAPIK3CDPIP5K1BPDGFRB
SCHEMBL6501419 0.85 PIP5K1C (1.00) PIP5K1CPIK3CAPIK3CDPIP5K1BPDGFRB

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
WO-2005003123-A1 NOVEL PYRIDINE DERIVATIVES AS JNK SPECIFIC INHIBITORS ASTRAZENECA AB (SE) 2005-01-13 WO claimed
WO-2005003123-A1 NOVEL PYRIDINE DERIVATIVES AS JNK SPECIFIC INHIBITORS ASTRAZENECA AB (SE) 2005-01-13 WO disclosed