SCHEMBL6944268

SCHEMBL6944268

C#Cc1ccc(Nc2cc([N+](=O)[O-])ccc2C(=O)NOCC2CC2)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 8/20 0.49
RAF1 P04049 1/20 0.47
PDGFRB P09619 1/20 0.47
CSNK2A2 P19784 1/20 0.47
MAP2K2 P36507 1/20 0.47
CSNK2B P67870 1/20 0.47
CSNK2A1 P68400 1/20 0.47
CSNK2A3 Q8NEV1 1/20 0.47
AURKC Q9UQB9 1/20 0.47
CAMK2A Q9UQM7 1/20 0.47
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
PTGS2 P35354 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
AURKA O14965 1/20 0.36
NPC1 O15118 1/20 0.36
PDPK1 O15530 1/20 0.36
JAK2 O60674 1/20 0.36

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
SCHEMBL6943863 0.89 MAP2K1 (0.60) MAP2K1RAF1PDGFRBCSNK2A2MAP2K2
SCHEMBL6941113 0.85 MAP2K1 (0.56) MAP2K1RAF1PDGFRBCSNK2A2MAP2K2
SCHEMBL6943854 0.82 KMT2A (0.42) ALDH1A1MAPTKMT2AMEN1TDP1
SCHEMBL6944138 0.80 KMT2A (0.47) ALDH1A1MAPTKMT2AMEN1TDP1
SCHEMBL6943862 0.78 MAP2K1 (0.75) MAP2K1RAF1PDGFRBCSNK2A2MAP2K2
SCHEMBL5385266 0.77 MAP2K1 (0.70) MAP2K1RAF1PDGFRBCSNK2A2MAP2K2
SCHEMBL5382310 0.77 MAP2K1 (0.55) MAP2K1RAF1PDGFRBCSNK2A2MAP2K2
SCHEMBL5387988 0.77 MAP2K1 (0.70) MAP2K1RAF1PDGFRBCSNK2A2MAP2K2
SCHEMBL6944537 0.76 MAP2K1 (0.61) MAP2K1RAF1PDGFRBCSNK2A2MAP2K2
SCHEMBL6944332 0.76 MAP2K1 (0.54) MAP2K1RAF1PDGFRBCSNK2A2MAP2K2

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