SCHEMBL6505284

SCHEMBL6505284

CC(=O)N1CCC(C(=O)Nc2cc(-c3cccc(Nc4ccccc4)c3)ccn2)CC1

nearest known ligand 0.88

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 7/20 0.88
MAPK8 P45983 6/20 0.88
MAPK14 Q16539 4/20 0.70
PIP5K1C O60331 12/20 0.67
PIK3CA P42336 11/20 0.67
ACVRL1 P37023 1/20 0.63
PIP5K1B O14986 3/20 0.63
PIP5K1A Q99755 3/20 0.63
PIK3CD O00329 2/20 0.63
PDGFRB P09619 2/20 0.63
PIK3CB P42338 2/20 0.63
PI4KA P42356 2/20 0.63
PIK3CG P48736 2/20 0.63
PDK1 Q15118 2/20 0.63
PI4KB Q9UBF8 2/20 0.63
PTPN1 P18031 1/20 0.58

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
SCHEMBL1518930 0.93 MAPK10 (1.00) MAPK10MAPK8MAPK14PIP5K1CPIK3CA
SCHEMBL6037741 0.83 MAPK10 (0.80) MAPK10MAPK8MAPK14PIP5K1CPIK3CA
SCHEMBL6037743 0.83 MAPK10 (0.80) MAPK10MAPK8MAPK14PIP5K1CPIK3CA
SCHEMBL1518648 0.82 MAPK10 (1.00) MAPK10MAPK8MAPK14PIP5K1CPIK3CA
SCHEMBL1518962 0.82 MAPK10 (1.00) MAPK10MAPK8MAPK14PIP5K1CPIK3CA
SCHEMBL6504987 0.80 PIP5K1C (1.00) MAPK10MAPK8MAPK14PIP5K1CPIK3CA
SCHEMBL12460810 0.79 MAPK8 (0.67) MAPK10MAPK8MAPK14
SCHEMBL6037742 0.79 MAPK10 (0.71) MAPK10MAPK8MAPK14PIP5K1CPIK3CA
SCHEMBL6507708 0.78 PIP5K1C (0.63) MAPK10MAPK8MAPK14PIP5K1CPIK3CA
SCHEMBL6037694 0.78 MAPK10 (0.89) MAPK10MAPK8MAPK14PIP5K1CPIK3CA

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