SCHEMBL6946266

SCHEMBL6946266

C#Cc1ccc(Nc2c(C(=O)NO)ccc(F)c2F)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 18/20 0.42
MAP2K2 P36507 5/20 0.42
HDAC3 O15379 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC9 Q9UKV0 2/20 0.40
HDAC5 Q9UQL6 2/20 0.40
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
SCHEMBL6950416 0.88 MEN1 (0.47) MAP2K1MAP2K2HDAC1HDAC6
SCHEMBL6946588 0.88 MAP2K1 (0.55) MAP2K1MAP2K2
SCHEMBL6946169 0.86 MAP2K1 (0.53) MAP2K1MAP2K2HDAC3HDAC4HDAC1
SCHEMBL6946674 0.85 MAP2K1 (0.42) MAP2K1MAP2K2HDAC1HDAC6
SCHEMBL5991182 0.83 MAP2K1 (0.64) MAP2K1MAP2K2HDAC3HDAC4HDAC1
SCHEMBL5388138 0.82 MAP2K1 (0.60) MAP2K1MAP2K2HDAC3HDAC4HDAC1
SCHEMBL6945033 0.81 MAP2K1 (0.61) MAP2K1MAP2K2PIM1CAMK2B
SCHEMBL6948913 0.80 MAP2K1 (0.43) MAP2K1MAP2K2HDAC3HDAC4HDAC1
SCHEMBL6945746 0.79 MAP2K1 (0.42) MAP2K1MAP2K2HDAC3HDAC4HDAC1
SCHEMBL6944532 0.79 MEN1 (0.47) MAP2K1MAP2K2

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 6 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