SCHEMBL7047868

SCHEMBL7047868

CC(C)(CO)CONC(=O)c1cc(Br)c(F)cc1Nc1ccc(I)cc1F.O=C(NOCC(O)COc1ccccc1)c1cc(Br)c(F)cc1Nc1ccc(I)cc1F

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 19/20 0.55
MAP2K2 P36507 4/20 0.55
MAPK1 P28482 2/20 0.49
BRAF P15056 1/20 0.49
MAP2K5 Q13163 1/20 0.49

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
SCHEMBL4856739 0.91 MAP2K1 (0.61) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL4853526 0.87 MAP2K1 (0.52) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL4860086 0.86 MAP2K1 (0.52) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL4853367 0.86 MAP2K1 (0.52) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL7053970 0.85 MAP2K1 (0.57) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL4862103 0.85 MAP2K1 (0.58) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL4857367 0.83 MAP2K1 (0.54) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL7047682 0.83 MAP2K1 (0.44) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL4851594 0.81 MAP2K1 (0.62) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL4861473 0.81 MAP2K1 (0.76) MAP2K1MAP2K2MAPK1BRAFMAP2K5

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