SCHEMBL13747653

SCHEMBL13747653

COC(=O)c1cc(C)c(Cl)[n+](C)c1Nc1ccc(I)cc1F

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 19/20 0.43
MAP2K2 P36507 10/20 0.43
MAP2K5 Q13163 1/20 0.41
EIF2AK1 Q9BQI3 1/20 0.41
PIM1 P11309 1/20 0.37
CAMK2B Q13554 1/20 0.37

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
SCHEMBL13748052 0.91 MAP2K1 (0.54) MAP2K1MAP2K2MAP2K5EIF2AK1PIM1
Trifluoromethanesulfonic Acid SCHEMBL929183 0.91 MAP2K1 (0.38) MAP2K1MAP2K2MAP2K5EIF2AK1
Trifluoromethanesulfonic Acid SCHEMBL929529 0.84 MAP2K1 (0.47) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL929220 0.77 MAP2K1 (0.43) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL390239 0.73 MAP2K1 (0.68) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL188153 0.71 MAP2K1 (0.49) MAP2K1MAP2K2
SCHEMBL5992602 0.71 MAP2K1 (0.74) MAP2K1MAP2K2MAP2K5PIM1CAMK2B
SCHEMBL29781367 0.71 MAP2K1 (0.74) MAP2K1MAP2K2MAP2K5PIM1CAMK2B
SCHEMBL29413386 0.71 MAP2K1 (0.49) MAP2K1MAP2K2
SCHEMBL23694186 0.70 MAP2K1 (0.52) MAP2K1MAP2K2MAP2K5PIM1CAMK2B

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-2009101432-A2 PROCESS FOR PREPARING PYRIDONE DERIVATIVES 226 ASTRAZENECA AB (SE) 2009-08-20 WO disclosed