SCHEMBL6949042

SCHEMBL6949042

C[S+]([O-])c1ccc(Nc2c(C(=O)O)ccc(F)c2F)c(Cl)c1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 18/20 0.65
MAP2K2 P36507 14/20 0.53
RAF1 P04049 1/20 0.42
PDGFRB P09619 1/20 0.42
CSNK2A2 P19784 1/20 0.42
CSNK2B P67870 1/20 0.42
CSNK2A1 P68400 1/20 0.42
CSNK2A3 Q8NEV1 1/20 0.42
AURKC Q9UQB9 1/20 0.42
CAMK2A Q9UQM7 1/20 0.42
CLCN2 P51788 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
SCHEMBL6947283 0.87 MAP2K1 (0.54) MAP2K1MAP2K2CLCN2
SCHEMBL22428819 0.82 MAP2K1 (0.73) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL6944092 0.80 MAP2K1 (0.67) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL6944061 0.80 MAP2K1 (0.73) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL1488147 0.79 MAP2K1 (0.73) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL29413453 0.79 MAP2K1 (0.73) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
Zapnometinib SCHEMBL30298104 0.79 MAP2K1 (1.00) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
Zapnometinib SCHEMBL29362260 0.79 MAP2K1 (1.00) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
Zapnometinib SCHEMBL1488782 0.79 MAP2K1 (1.00) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL6948257 0.76 MAP2K1 (0.68) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2

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 11 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
EP-1202724-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2002-05-08 EP claimed
EP-1150950-A2 ANTHRANILIC ACID DERIVATIVES WARNER-LAMBERT COMPANY (US) 2001-11-07 EP claimed
WO-2001005393-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-01-25 WO claimed
WO-2000041505-A2 ANTHRANILIC ACID DERIVATIVES 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
EP-1202724-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2002-05-08 EP disclosed
EP-1150950-A2 ANTHRANILIC ACID DERIVATIVES WARNER-LAMBERT COMPANY (US) 2001-11-07 EP disclosed
WO-2001005393-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-01-25 WO disclosed
WO-2000041505-A2 ANTHRANILIC ACID DERIVATIVES WARNER-LAMBERT COMPANY (US) 2000-07-20 WO disclosed