SCHEMBL6945694

SCHEMBL6945694

O=C(O)c1cc(F)c(Nc2ccccc2)c(F)c1Nc1ccc(I)cc1Cl

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 11/20 0.67
MAP2K2 P36507 7/20 0.52
IDO1 P14902 1/20 0.47
RAF1 P04049 1/20 0.46
PDGFRB P09619 1/20 0.46
CSNK2A2 P19784 1/20 0.46
CSNK2B P67870 1/20 0.46
CSNK2A1 P68400 1/20 0.46
CSNK2A3 Q8NEV1 1/20 0.46
AURKC Q9UQB9 1/20 0.46
CAMK2A Q9UQM7 1/20 0.46
AURKA O14965 3/20 0.41
TNFRSF1A P19438 3/20 0.41
SRC P12931 2/20 0.41
PRKCB P05771 1/20 0.41
STK3 Q13188 1/20 0.41
MAP3K9 P80192 2/20 0.40
ABL1 P00519 1/20 0.40
LCK P06239 1/20 0.40
CLK1 P49759 1/20 0.40

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
SCHEMBL6944280 0.90 MAP2K1 (0.57) MAP2K1MAP2K2IDO1RAF1PDGFRB
SCHEMBL4853099 0.86 MAP2K1 (0.77) MAP2K1MAP2K2IDO1RAF1PDGFRB
SCHEMBL6944361 0.85 MAP2K1 (0.57) MAP2K1MAP2K2IDO1RAF1PDGFRB
SCHEMBL4861572 0.82 MAP2K1 (0.74) MAP2K1MAP2K2IDO1RAF1PDGFRB
SCHEMBL6944273 0.81 MAP2K1 (0.73) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL14040716 0.81 MAP2K1 (0.70) MAP2K1MAP2K2IDO1RAF1PDGFRB
Zapnometinib SCHEMBL30298104 0.81 MAP2K1 (1.00) MAP2K1MAP2K2IDO1RAF1PDGFRB
Zapnometinib SCHEMBL1488782 0.81 MAP2K1 (1.00) MAP2K1MAP2K2IDO1RAF1PDGFRB
Zapnometinib SCHEMBL29362260 0.81 MAP2K1 (1.00) MAP2K1MAP2K2IDO1RAF1PDGFRB
SCHEMBL4856761 0.79 MAP2K1 (0.70) MAP2K1MAP2K2IDO1RAF1PDGFRB

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1202724-B1 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER LAMBERT CO (US) 2003-10-01 EP claimed
JP-2003504401-A 2003-02-04 JP claimed
US-6506798-B1 4-Arylamino, 4-aryloxy, and 4-arylthio diarylamines and derivatives thereof as selective MEK inhibitors WARNER-LAMBERT COMPANY 2003-01-14 US claimed
EP-1202724-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2002-05-08 EP claimed
EP-1144362-A1 4-ARYLAMINO, 4-ARYLOXY, AND 4-ARYLTHIO DIARYLAMINES AND DERIVATIVES THEREOF AS SELECTIVE MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-10-17 EP claimed
WO-2001005393-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-01-25 WO claimed
WO-2000041994-A1 4-ARYLAMINO, 4-ARYLOXY, AND 4-ARYLTHIO DIARYLAMINES AND DERIVATIVES THEREOF AS SELECTIVE MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-07-20 WO claimed
EP-1202724-B1 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER LAMBERT CO (US) 2003-10-01 EP disclosed
US-6506798-B1 4-Arylamino, 4-aryloxy, and 4-arylthio diarylamines and derivatives thereof as selective MEK inhibitors WARNER-LAMBERT COMPANY 2003-01-14 US disclosed
EP-1202724-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2002-05-08 EP disclosed
EP-1144362-A1 4-ARYLAMINO, 4-ARYLOXY, AND 4-ARYLTHIO DIARYLAMINES AND DERIVATIVES THEREOF AS SELECTIVE MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-10-17 EP disclosed
WO-2001005393-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-01-25 WO disclosed
WO-2000041994-A1 4-ARYLAMINO, 4-ARYLOXY, AND 4-ARYLTHIO DIARYLAMINES AND DERIVATIVES THEREOF AS SELECTIVE MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-07-20 WO disclosed