SCHEMBL7051448

SCHEMBL7051448

O=C(NOCC(O)CN1CCOCC1)c1cc(F)c(F)c(F)c1Nc1ccc(I)cc1Cl.O=C(c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl)N(Br)OCC(O)CN1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 17/20 0.49
MAP2K2 P36507 6/20 0.49
RAF1 P04049 1/20 0.49
PDGFRB P09619 1/20 0.49
CSNK2A2 P19784 1/20 0.49
CSNK2B P67870 1/20 0.49
CSNK2A1 P68400 1/20 0.49
CSNK2A3 Q8NEV1 1/20 0.49
AURKC Q9UQB9 1/20 0.49
CAMK2A Q9UQM7 1/20 0.49
MAPK1 P28482 2/20 0.49
BRAF P15056 1/20 0.49
MAP2K5 Q13163 1/20 0.49
PIK3CD O00329 4/20 0.42
PIK3CA P42336 4/20 0.42
PIK3CB P42338 4/20 0.42
PIK3CG P48736 4/20 0.42
PIK3R1 P27986 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL4851998 0.90 MAP2K1 (0.53) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL4862772 0.89 MAP2K1 (0.61) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL7053678 0.86 MAP2K1 (0.46) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL4861067 0.85 MAP2K1 (0.51) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL4853558 0.85 MAP2K1 (0.61) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL4861551 0.83 MAP2K1 (0.62) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL4862385 0.82 MAP2K1 (0.71) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL7056346 0.82 MEN1 (0.53) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL4861250 0.82 MAP2K1 (0.58) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL4862353 0.81 MEN1 (0.62) 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 claimed
WO-2002006213-A2 OXYGENATED ESTERS OF 4-IODO PHENYLAMINO BENZHYDROXAMIC ACIDS WARNER-LAMBERT COMPANY (US) 2002-01-24 WO claimed