SCHEMBL5032058

SCHEMBL5032058

CN(OCC1CC1)C(=O)c1n[nH]c(=O)c(Br)c1Nc1ccc(Br)cc1F

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 19/20 0.46
EGFR P00533 1/20 0.36
KDR P35968 1/20 0.36

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
SCHEMBL5032123 0.81 MAP2K1 (0.46) MAP2K1
SCHEMBL5031197 0.79 MAP2K1 (0.48) MAP2K1
SCHEMBL5559975 0.76 MAP2K1 (0.48) MAP2K1EGFRKDR
SCHEMBL5560203 0.76 MAP2K1 (0.55) MAP2K1EGFRKDR
SCHEMBL391167 0.69 MAP2K1 (0.66) MAP2K1
SCHEMBL5031226 0.69 MAP2K1 (0.48) MAP2K1
SCHEMBL5032118 0.67 MAP2K1 (0.36) MAP2K1
SCHEMBL5032106 0.66 MAP2K1 (0.37) MAP2K1
SCHEMBL5031293 0.66 MAP2K1 (0.44) MAP2K1
SCHEMBL5031300 0.66 MAP2K1 (0.35) MAP2K1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1922307-A2 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2008-05-21 EP claimed
WO-2007044084-A2 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2007-04-19 WO claimed
EP-1922307-A2 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2008-05-21 EP disclosed
WO-2007044084-A2 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2007-04-19 WO disclosed