SCHEMBL5560671

SCHEMBL5560671

CCONC(=O)c1c[nH]c(=O)c(F)c1Nc1ccc(SC)cc1F

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 18/20 0.51
MAP2K2 P36507 5/20 0.42
PIM1 P11309 1/20 0.41
CAMK2B Q13554 1/20 0.41
MAPK1 P28482 2/20 0.39
BRAF P15056 1/20 0.39
MAP2K5 Q13163 1/20 0.39

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
SCHEMBL5561738 0.86 MAP2K1 (0.42) MAP2K1MAP2K2PIM1CAMK2BMAPK1
SCHEMBL5559777 0.86 MAP2K1 (0.59) MAP2K1MAP2K2PIM1CAMK2BMAPK1
SCHEMBL388357 0.82 MAP2K1 (0.76) MAP2K1MAP2K2
SCHEMBL5559526 0.78 MAP2K1 (0.60) MAP2K1MAP2K2
SCHEMBL388611 0.75 MAP2K1 (0.50) MAP2K1MAP2K2MAP2K5
SCHEMBL5990873 0.75 MAP2K1 (0.74) MAP2K1MAP2K2PIM1CAMK2BMAPK1
SCHEMBL5560204 0.74 MAP2K1 (0.66) MAP2K1MAP2K2
SCHEMBL392927 0.74 MAP2K1 (0.62) MAP2K1MAP2K2MAP2K5
SCHEMBL392936 0.73 MAP2K1 (0.69) MAP2K1MAP2K2
SCHEMBL5554749 0.73 MAP2K1 (0.52) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007511614-A 2007-05-10 JP claimed
EP-1682138-A4 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC (US) 2007-01-24 EP claimed
EP-1682138-A2 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2006-07-26 EP claimed
WO-2005051301-A2 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2005-06-09 WO claimed
EP-2251327-B1 HETEROCYCLIC INHIBITORS OF MEK ARRAY BIOPHARMA INC (US) 2014-02-12 EP disclosed