SCHEMBL7053979

SCHEMBL7053979

CCC(O)CONC(=O)c1cc(Cl)c(F)cc1Nc1ccc(I)cc1F.COCCOCCONC(=O)c1cc(Cl)c(F)cc1Nc1ccc(I)cc1F

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 19/20 0.51
MAP2K2 P36507 5/20 0.51
BRAF P15056 1/20 0.50
MAPK1 P28482 1/20 0.50
MAP2K5 Q13163 1/20 0.50
PIM1 P11309 1/20 0.47
CAMK2B Q13554 1/20 0.47

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
SCHEMBL4863541 0.92 MAP2K1 (0.57) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL4859843 0.92 MAP2K1 (0.56) MAP2K1MAP2K2MAP2K5PIM1CAMK2B
SCHEMBL4859739 0.90 MAP2K1 (0.55) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL4858601 0.89 MAP2K1 (0.56) MAP2K1MAP2K2MAP2K5PIM1CAMK2B
SCHEMBL7052000 0.88 MAP2K1 (0.48) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL4857231 0.88 MAP2K1 (0.55) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL4860548 0.86 MAP2K1 (0.56) MAP2K1MAP2K2MAP2K5PIM1CAMK2B
SCHEMBL4862631 0.86 MAP2K1 (0.49) MAP2K1MAP2K2PIM1CAMK2B
SCHEMBL4857812 0.86 MAP2K1 (0.50) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL7047800 0.86 MAP2K1 (0.51) MAP2K1MAP2K2BRAFMAPK1MAP2K5

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