SCHEMBL7052693

SCHEMBL7052693

CCOCCONC(=O)c1cc(Br)c(F)cc1Nc1ccc(I)cc1F.O=C(NOC1(CO)CC1)c1cc(Br)c(F)cc1Nc1ccc(I)cc1F

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 19/20 0.47
MAP2K2 P36507 4/20 0.47
PIM1 P11309 1/20 0.45
CAMK2B Q13554 1/20 0.45
MAP2K5 Q13163 1/20 0.42
EIF2AK1 Q9BQI3 1/20 0.42

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
SCHEMBL4853837 0.90 MAP2K1 (0.56) MAP2K1MAP2K2PIM1CAMK2BMAP2K5
SCHEMBL4861906 0.90 MAP2K1 (0.48) MAP2K1MAP2K2MAP2K5
SCHEMBL7051235 0.89 MAP2K1 (0.53) MAP2K1MAP2K2PIM1CAMK2BMAP2K5
SCHEMBL7047878 0.85 MAP2K1 (0.66) MAP2K1MAP2K2PIM1CAMK2BMAP2K5
SCHEMBL4853613 0.84 MEN1 (0.44) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL4864113 0.83 MAP2K1 (0.51) MAP2K1MAP2K2PIM1CAMK2BMAP2K5
SCHEMBL4862579 0.83 MAP2K1 (0.56) MAP2K1MAP2K2PIM1CAMK2BMAP2K5
SCHEMBL4853157 0.82 MAP2K1 (0.60) MAP2K1MAP2K2PIM1CAMK2BMAP2K5
SCHEMBL4861910 0.82 MAP2K1 (0.52) MAP2K1MAP2K2MAP2K5
SCHEMBL4860830 0.82 MAP2K1 (0.47) MAP2K1MAP2K2PIM1CAMK2BMAP2K5

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
EP-1301472-A2 OXYGENATED ESTERS OF 4-IODO PHENYLAMINO BENZHYDROXAMIC ACIDS WARNER-LAMBERT COMPANY (US) 2003-04-16 EP disclosed
WO-2002006213-A2 OXYGENATED ESTERS OF 4-IODO PHENYLAMINO BENZHYDROXAMIC ACIDS WARNER-LAMBERT COMPANY (US) 2002-01-24 WO disclosed