SCHEMBL6500932

SCHEMBL6500932

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

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIP5K1C O60331 13/20 0.53
PIK3CA P42336 11/20 0.53
MAPK8 P45983 5/20 0.50
MAPK10 P53779 5/20 0.50
PIK3CD O00329 2/20 0.49
PIP5K1B O14986 2/20 0.49
PDGFRB P09619 2/20 0.49
PIK3CB P42338 2/20 0.49
PI4KA P42356 2/20 0.49
PIK3CG P48736 2/20 0.49
PDK1 Q15118 2/20 0.49
PIP5K1A Q99755 2/20 0.49
PI4KB Q9UBF8 2/20 0.49
ACVRL1 P37023 1/20 0.47
MAPK14 Q16539 1/20 0.47
CGAS Q8N884 1/20 0.46

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
SCHEMBL6500941 1.00 PIP5K1C (0.53) PIP5K1CPIK3CAMAPK8MAPK10PIK3CD
SCHEMBL6506003 0.85 PIP5K1C (0.73) PIP5K1CPIK3CAMAPK8MAPK10PIK3CD
SCHEMBL6507708 0.83 PIP5K1C (0.63) PIP5K1CPIK3CAMAPK8MAPK10PIK3CD
SCHEMBL6503989 0.83 PIP5K1C (0.76) PIP5K1CPIK3CAMAPK8MAPK10PIK3CD
SCHEMBL6508127 0.81 CGAS (0.44) MAPK8MAPK10CGAS
SCHEMBL6508122 0.81 CGAS (0.44) MAPK8MAPK10CGAS
SCHEMBL1518948 0.79 KMT2A (0.64) MAPK8MAPK10
SCHEMBL1518597 0.77 CNR1 (0.59) PIP5K1CPIK3CAMAPK8MAPK10PIP5K1B
SCHEMBL17010318 0.74 POLB (0.52)
SCHEMBL17010319 0.74 POLB (0.52)

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