SCHEMBL986962

SCHEMBL986962

CCC(C)(C(=O)O)c1ccc(-c2cnc(N)c(-c3nnnn3-c3cccc(F)c3F)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 9/20 0.40
KCNN4 O15554 7/20 0.38
ACHE P22303 1/20 0.36
KCNH2 Q12809 2/20 0.35
PDE5A O76074 1/20 0.35
MINK1 Q8N4C8 1/20 0.35
MET P08581 1/20 0.34
CHEK2 O96017 1/20 0.34
MKNK1 Q9BUB5 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
SCHEMBL985539 0.87 KCNN4 (0.41) MAP4K4KCNN4ACHE
SCHEMBL986961 0.84 MAP4K4 (0.41) MAP4K4KCNN4ACHEKCNH2
SCHEMBL27900688 0.84 KCNN4 (0.40) MAP4K4KCNN4ACHECHEK2MKNK1
SCHEMBL982610 0.83 MAP4K4 (0.44) MAP4K4KCNN4ACHEKCNH2
SCHEMBL988095 0.83 CHEK2 (0.42) MAP4K4KCNN4ACHECHEK2MKNK1
SCHEMBL985174 0.82 KCNN4 (0.45) MAP4K4KCNN4ACHE
SCHEMBL984679 0.82 KCNN4 (0.39) MAP4K4KCNN4ACHE
SCHEMBL986230 0.82 KCNN4 (0.49) MAP4K4KCNN4ACHE
SCHEMBL987882 0.82 MAPT (0.40) MAP4K4KCNN4ACHECHEK2
SCHEMBL982754 0.82 CHEK2 (0.53) MAP4K4CHEK2MKNK1

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
US-7872031-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-18 US claimed