SCHEMBL6507449

SCHEMBL6507449

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

nearest known ligand 0.84

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIP5K1C O60331 18/20 0.84
PIK3CA P42336 13/20 0.77
PIP5K1B O14986 4/20 0.76
PIP5K1A Q99755 4/20 0.76
PIK3CD O00329 3/20 0.76
PDGFRB P09619 3/20 0.76
PIK3CB P42338 3/20 0.76
PI4KA P42356 3/20 0.76
PIK3CG P48736 3/20 0.76
PDK1 Q15118 3/20 0.76
PI4KB Q9UBF8 3/20 0.76
MAPK8 P45983 3/20 0.72
MAPK10 P53779 3/20 0.72
MAPK14 Q16539 3/20 0.72

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
SCHEMBL6504079 0.95 PIP5K1C (0.78) PIP5K1CPIK3CAPIP5K1BPIP5K1APIK3CD
SCHEMBL6501212 0.86 PIP5K1C (1.00) PIP5K1CPIK3CAPIP5K1BPIP5K1APIK3CD
SCHEMBL6504265 0.86 PIP5K1C (0.80) PIP5K1CPIK3CAPIP5K1BPIP5K1APIK3CD
SCHEMBL6500541 0.85 PIP5K1C (0.82) PIP5K1CPIK3CAPIP5K1BPIP5K1APIK3CD
SCHEMBL6503376 0.84 PIP5K1C (0.76) PIP5K1CPIK3CAPIP5K1BPIP5K1APIK3CD
SCHEMBL1519003 0.84 MAPK10 (1.00) PIP5K1CPIK3CAPIP5K1BPIP5K1APIK3CD
SCHEMBL6507411 0.84 PIP5K1C (0.80) PIP5K1CPIK3CAPIP5K1BPIP5K1APIK3CD
SCHEMBL6509374 0.84 PIP5K1C (0.80) PIP5K1CPIK3CAPIP5K1BPIP5K1APIK3CD
SCHEMBL6507989 0.83 PIP5K1C (0.84) PIP5K1CPIK3CAPIP5K1BPIP5K1APIK3CD
SCHEMBL6506003 0.82 PIP5K1C (0.73) PIP5K1CPIK3CAPIP5K1BPIP5K1APIK3CD

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 3 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
WO-2005003140-A1 4-OXO-4,7-DIHYDROTHIENO[2,3-B]PYRIDINE-5-CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2005-01-13 WO disclosed