SCHEMBL6503989

SCHEMBL6503989

O=C(Nc1cc(-c2cc(Nc3ccccc3)cc([N+](=O)[O-])c2)ccn1)C1CCOC1

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIP5K1C O60331 17/20 0.76
PIK3CA P42336 13/20 0.76
MAPK10 P53779 4/20 0.72
PIP5K1B O14986 3/20 0.72
PIP5K1A Q99755 3/20 0.72
MAPK8 P45983 3/20 0.72
MAPK14 Q16539 3/20 0.72
PIK3CD O00329 2/20 0.66
PDGFRB P09619 2/20 0.66
PIK3CB P42338 2/20 0.66
PI4KA P42356 2/20 0.66
PIK3CG P48736 2/20 0.66
PDK1 Q15118 2/20 0.66
PI4KB Q9UBF8 2/20 0.66

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
SCHEMBL6506003 0.95 PIP5K1C (0.73) PIP5K1CPIK3CAMAPK10PIP5K1BPIP5K1A
SCHEMBL6504987 0.87 PIP5K1C (1.00) PIP5K1CPIK3CAMAPK10PIP5K1BPIP5K1A
SCHEMBL6502234 0.85 PIP5K1C (0.83) PIP5K1CPIK3CAMAPK10PIP5K1BPIP5K1A
SCHEMBL1518720 0.85 PIP5K1C (1.00) PIP5K1CPIK3CAMAPK10PIP5K1BPIP5K1A
SCHEMBL6503191 0.84 PIP5K1C (0.80) PIP5K1CPIK3CAMAPK10PIP5K1BPIP5K1A
SCHEMBL6500941 0.83 PIP5K1C (0.53) PIP5K1CPIK3CAMAPK10PIP5K1BPIP5K1A
SCHEMBL6500932 0.83 PIP5K1C (0.53) PIP5K1CPIK3CAMAPK10PIP5K1BPIP5K1A
SCHEMBL6505419 0.82 PIP5K1C (0.81) PIP5K1CPIK3CAMAPK10PIP5K1BPIP5K1A
SCHEMBL6501419 0.82 PIP5K1C (1.00) PIP5K1CPIK3CAMAPK10PIP5K1BPIP5K1A
SCHEMBL6507411 0.81 PIP5K1C (0.80) PIP5K1CPIK3CAMAPK10PIP5K1BPIP5K1A

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