SCHEMBL5989891

SCHEMBL5989891

Cc1cc(I)ccc1Nc1c(C(=O)NOCC2CC2)cc2ocnc2c1F

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.71
KMT2A Q03164 1/20 0.71
TDP1 Q9NUW8 1/20 0.71
MAP2K1 Q02750 18/20 0.54
MAP2K2 P36507 2/20 0.54
RAF1 P04049 1/20 0.54
PDGFRB P09619 1/20 0.54
CSNK2A2 P19784 1/20 0.54
CSNK2B P67870 1/20 0.54
CSNK2A1 P68400 1/20 0.54
CSNK2A3 Q8NEV1 1/20 0.54
AURKC Q9UQB9 1/20 0.54
CAMK2A Q9UQM7 1/20 0.54
PIM1 P11309 1/20 0.40
CAMK2B Q13554 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
SCHEMBL15131425 0.92 MEN1 (0.60) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL5989361 0.87 MEN1 (0.71) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL19367204 0.86 MEN1 (0.54) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL5989568 0.85 MEN1 (0.73) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL5988265 0.85 MEN1 (0.73) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL5989886 0.84 MEN1 (0.64) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL3862123 0.83 MEN1 (0.71) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL5988785 0.83 MEN1 (0.71) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL5990580 0.83 MEN1 (0.61) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL1801637 0.83 MEN1 (1.00) MEN1KMT2ATDP1MAP2K1MAP2K2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7030119-B1 Method for treating chronic pain using MEK inhibitors WARNER-LAMBERT COMPANY (US) 2006-04-18 US disclosed
EP-1144385-B1 BENZOHETEROCYCLES AND THEIR USE AS MEK INHIBITORS WARNER LAMBERT CO (US) 2005-08-17 EP disclosed
US-6469004-B1 Benzoheterocycles and their uses as MEK inhibitors WARNER-LAMBERT COMPANY 2002-10-22 US disclosed
EP-1202731-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-05-08 EP disclosed
EP-1144385-A1 BENZOHETEROCYCLES AND THEIR USE AS MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-10-17 EP disclosed
WO-2001005390-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-01-25 WO disclosed
WO-2000042022-A1 BENZOHETEROCYCLES AND THEIR USE AS MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-07-20 WO disclosed