SCHEMBL6507708

SCHEMBL6507708

O=C(O)Nc1cc(-c2cccc(Nc3ccccc3)c2)ccn1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIP5K1C O60331 9/20 0.63
PIK3CA P42336 8/20 0.63
ACVRL1 P37023 1/20 0.58
MAPK8 P45983 8/20 0.57
MAPK10 P53779 8/20 0.57
MAPK14 Q16539 2/20 0.56
EGFR P00533 1/20 0.56
CNR1 P21554 1/20 0.54
PIP5K1B O14986 2/20 0.53
PIP5K1A Q99755 2/20 0.53
PIK3CD O00329 1/20 0.53
PDGFRB P09619 1/20 0.53
PIK3CB P42338 1/20 0.53
PI4KA P42356 1/20 0.53
PIK3CG P48736 1/20 0.53
PDK1 Q15118 1/20 0.53
PI4KB Q9UBF8 1/20 0.53
WNT3A P56704 1/20 0.50

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
SCHEMBL17872892 0.88 EGFR (0.69) PIP5K1CPIK3CAMAPK8MAPK10MAPK14
SCHEMBL6500941 0.83 PIP5K1C (0.53) PIP5K1CPIK3CAACVRL1MAPK8MAPK10
SCHEMBL6500932 0.83 PIP5K1C (0.53) PIP5K1CPIK3CAACVRL1MAPK8MAPK10
SCHEMBL6501406 0.82 PIP5K1C (0.54) PIP5K1CPIK3CAACVRL1MAPK8MAPK10
SCHEMBL6507679 0.81 EGFR (0.54) PIP5K1CPIK3CAMAPK8MAPK10EGFR
SCHEMBL1518723 0.79 CNR1 (0.69) PIP5K1CPIK3CAACVRL1MAPK8MAPK10
SCHEMBL1518824 0.79 PIP5K1C (0.68) PIP5K1CPIK3CAACVRL1MAPK8MAPK10
SCHEMBL6504987 0.78 PIP5K1C (1.00) PIP5K1CPIK3CAACVRL1MAPK8MAPK10
SCHEMBL6505284 0.78 MAPK10 (0.88) PIP5K1CPIK3CAACVRL1MAPK8MAPK10
SCHEMBL13151491 0.77 MAPK10 (0.62) PIP5K1CPIK3CAMAPK8MAPK10MAPK14

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 1 patent. 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 disclosed