SCHEMBL5990169

SCHEMBL5990169

Cc1cc(I)ccc1Nc1c(C(=O)Oc2c(F)c(F)c(F)c(F)c2F)cc2nc[nH]c2c1F

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
IDO1 P14902 3/20 0.41
GFER P55789 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPK1 P28482 2/20 0.36
MAP2K1 Q02750 12/20 0.36
MAP2K2 P36507 8/20 0.36
PIM1 P11309 1/20 0.33
CAMK2B Q13554 1/20 0.33
BRAF P15056 1/20 0.33
MAP2K5 Q13163 1/20 0.33
CYP2C9 P11712 1/20 0.32

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
SCHEMBL3886544 0.91 MEN1 (0.45) MEN1KMT2ATDP1IDO1GFER
SCHEMBL5763796 0.87 IDO1 (0.52) MEN1KMT2ATDP1IDO1GFER
SCHEMBL5988682 0.85 MEN1 (0.45) MEN1KMT2ATDP1IDO1MAPK1
SCHEMBL7115809 0.85 MEN1 (0.43) MEN1KMT2ATDP1IDO1GFER
SCHEMBL6137927 0.82 IDO1 (0.40) MEN1KMT2ATDP1IDO1GFER
SCHEMBL4851861 0.81 MEN1 (0.60) MEN1KMT2ATDP1IDO1GFER
SCHEMBL27583342 0.79 MEN1 (0.43) MEN1KMT2ATDP1IDO1GFER
SCHEMBL27583344 0.79 MEN1 (0.43) MEN1KMT2ATDP1IDO1GFER
SCHEMBL1038046 0.79 MAPT (0.42) MEN1KMT2AGFERSMN1; SMN2MAPK1
SCHEMBL5988793 0.79 MEN1 (0.71) 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 10 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 claimed
CN-1358094-A Methods of treating chronic pain with MEK inhibitors WARNER LAMBERT CO (US) 2002-07-10 CN claimed
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
CN-1358094-A Methods of treating chronic pain with MEK inhibitors WARNER LAMBERT CO (US) 2002-07-10 CN 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