SCHEMBL4405584

SCHEMBL4405584

Nc1ncc(-c2ccc(CC(N)C(=O)O)cc2)cc1-c1nnnn1-c1cccc(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 5/20 0.38
MAP4K4 O95819 5/20 0.38
PTPN1 P18031 1/20 0.36
TPH1 P17752 4/20 0.36
TPH2 Q8IWU9 2/20 0.36
ACHE P22303 1/20 0.36
CHEK2 O96017 2/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MAPK1 P28482 1/20 0.34

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
SCHEMBL988095 0.84 CHEK2 (0.42) KCNN4MAP4K4ACHECHEK2MKNK1
SCHEMBL986230 0.83 KCNN4 (0.49) KCNN4MAP4K4ACHE
SCHEMBL984938 0.82 KCNN4 (0.46) KCNN4MAP4K4ACHE
SCHEMBL988092 0.81 KCNN4 (0.40) KCNN4ACHE
SCHEMBL4409316 0.81 KCNN4 (0.37) KCNN4ACHEMAPK1
SCHEMBL982686 0.81 KCNN4 (0.38) KCNN4MAP4K4ACHECHEK2MKNK1
SCHEMBL985022 0.81 MAP4K4 (0.47) KCNN4MAP4K4
SCHEMBL4405656 0.81 PRCP (0.36) KCNN4MAP4K4ACHEMAPK1
SCHEMBL988133 0.80 MAPK1 (0.40) KCNN4MAPK1
SCHEMBL983011 0.80 KCNN4 (0.42) KCNN4MAP4K4CHEK2MKNK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2004625-B1 C-MET PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS VERTEX PHARMA (US) 2009-12-30 EP claimed