SCHEMBL6232002

SCHEMBL6232002

Cc1cc(I)ccc1Nc1c(C(=O)NOC(C)C)ccc(F)c1F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 17/20 0.57
MAP2K2 P36507 12/20 0.57
PIM1 P11309 1/20 0.57
CAMK2B Q13554 1/20 0.57
BRAF P15056 1/20 0.56
MAPK1 P28482 1/20 0.56
MAP2K5 Q13163 1/20 0.56
HDAC3 O15379 2/20 0.54
HDAC4 P56524 2/20 0.54
HDAC1 Q13547 2/20 0.54
HDAC7 Q8WUI4 2/20 0.54
HDAC2 Q92769 2/20 0.54
HDAC10 Q969S8 2/20 0.54
HDAC11 Q96DB2 2/20 0.54
HDAC8 Q9BY41 2/20 0.54
HDAC6 Q9UBN7 2/20 0.54
HDAC9 Q9UKV0 2/20 0.54
HDAC5 Q9UQL6 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54

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
SCHEMBL25063372 0.91 MAP2K1 (0.68) MAP2K1MAP2K2PIM1CAMK2BBRAF
SCHEMBL4861933 0.90 MAP2K1 (0.60) MAP2K1MAP2K2PIM1CAMK2BBRAF
SCHEMBL4851909 0.89 MEN1 (0.57) MAP2K1MAP2K2PIM1CAMK2BBRAF
SCHEMBL5388594 0.89 MAP2K1 (0.52) MAP2K1MAP2K2PIM1CAMK2BBRAF
SCHEMBL4863143 0.88 MAP2K1 (0.59) MAP2K1MAP2K2PIM1CAMK2BBRAF
SCHEMBL6230066 0.88 MAP2K1 (0.60) MAP2K1MAP2K2PIM1CAMK2BBRAF
SCHEMBL4856789 0.87 MEN1 (0.55) MAP2K1MAP2K2PIM1CAMK2BBRAF
SCHEMBL5386746 0.87 MAP2K1 (0.57) MAP2K1MAP2K2PIM1CAMK2BBRAF
SCHEMBL4860227 0.86 MAP2K1 (0.58) MAP2K1MAP2K2PIM1CAMK2BBRAF
SCHEMBL4860007 0.85 MAP2K1 (0.68) MAP2K1MAP2K2PIM1CAMK2BBRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140291-B1 COMBINATION CHEMOTHERAPY COMPRISING A MITOTIC INHIBITOR AND A MEK INHIBITOR WARNER LAMBERT CO (US) 2005-11-23 EP disclosed
EP-1140062-B1 TREATMENT OF ASTHMA WITH MEK INHIBITORS WARNER LAMBERT CO (US) 2005-04-06 EP disclosed
EP-0993439-B1 4-BROMO OR 4-IODO PHENYLAMINO BENZHYDROXAMIC ACID DERIVATIVES AND THEIR USE AS MEK INHIBITORS WARNER LAMBERT CO (US) 2004-09-29 EP disclosed
EP-1202726-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-05-08 EP disclosed
WO-2001005392-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-01-25 WO disclosed