Sugi Predict

Sugi Predict / Compounds / SCHEMBL5555002

SCHEMBL5555002

SCHEMBL5555002

O=C(NOC(Cc1ccccc1)C1CC1)c1c[nH]c(=O)c(F)c1Nc1ccc(Br)cc1F

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MAP2K1 Q02750 19/20 0.44
▸ MAP2K2 P36507 1/20 0.43
▸ NPC1 O15118 1/20 0.37

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
SCHEMBL5561332 0.92 MAP2K1 (0.46) MAP2K1MAP2K2NPC1
SCHEMBL5559787 0.91 MAP2K1 (0.41) MAP2K1MAP2K2
SCHEMBL5554653 0.87 MAP2K1 (0.42) MAP2K1MAP2K2
SCHEMBL5560026 0.86 MAP2K1 (0.49) MAP2K1MAP2K2
SCHEMBL5559985 0.86 MAP2K1 (0.47) MAP2K1MAP2K2
SCHEMBL5559814 0.86 MAP2K1 (0.42) MAP2K1MAP2K2
SCHEMBL5561069 0.85 MAP2K1 (0.46) MAP2K1MAP2K2
SCHEMBL5560210 0.85 MAP2K1 (0.43) MAP2K1MAP2K2
SCHEMBL5561592 0.85 MAP2K1 (0.49) MAP2K1MAP2K2
SCHEMBL5560829 0.82 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1682138-A4 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC (US) 2007-01-24 — — EP disclosed
EP-1682138-A2 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2006-07-26 — — EP disclosed
WO-2005051301-A2 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2005-06-09 — — WO disclosed