SCHEMBL6945701

SCHEMBL6945701

CS(=O)(=O)c1ccc(Nc2c(C(=O)NOCC3CC3)cc(Br)c(F)c2F)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 15/20 0.56
MAP2K2 P36507 3/20 0.56
CSNK2A2 P19784 2/20 0.56
RAF1 P04049 1/20 0.56
PDGFRB P09619 1/20 0.56
CSNK2B P67870 1/20 0.56
CSNK2A1 P68400 1/20 0.56
CSNK2A3 Q8NEV1 1/20 0.56
AURKC Q9UQB9 1/20 0.56
CAMK2A Q9UQM7 1/20 0.56
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
SMC2 O95347 1/20 0.41
EGFR P00533 1/20 0.41
SMC1A Q14683 1/20 0.41
AAK1 Q2M2I8 1/20 0.41
Q6ZSR9 Q6ZSR9 1/20 0.41
BMP2K Q9NSY1 1/20 0.41
PDE4B Q07343 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
SCHEMBL6947424 0.91 MEN1 (0.63) MAP2K1MAP2K2CSNK2A2RAF1PDGFRB
SCHEMBL6948436 0.91 MEN1 (0.52) MAP2K1MAP2K2CSNK2A2RAF1PDGFRB
SCHEMBL6944499 0.90 MEN1 (0.62) MAP2K1MAP2K2CSNK2A2RAF1PDGFRB
SCHEMBL6943891 0.88 MAP2K1 (0.74) MAP2K1MAP2K2CSNK2A2RAF1PDGFRB
SCHEMBL22822261 0.87 MAP2K1 (0.60) MAP2K1MAP2K2CSNK2A2RAF1PDGFRB
SCHEMBL2722332 0.85 MAP2K1 (0.76) MAP2K1MAP2K2CSNK2A2RAF1PDGFRB
SCHEMBL29376205 0.85 MAP2K1 (0.76) MAP2K1MAP2K2CSNK2A2RAF1PDGFRB
SCHEMBL6945680 0.85 MAP2K1 (0.57) MAP2K1MAP2K2CSNK2A2RAF1PDGFRB
SCHEMBL6944419 0.83 MAP2K1 (0.57) MAP2K1MAP2K2CSNK2A2RAF1PDGFRB
SCHEMBL6947451 0.81 MEN1 (0.75) MAP2K1MAP2K2CSNK2A2RAF1PDGFRB

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