SCHEMBL4411466

SCHEMBL4411466

CC(O)Oc1ccc(-c2cnc(N)c(-c3nnnn3-c3cccc(F)c3F)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 3/20 0.41
KCNN4 O15554 14/20 0.41
CHEK2 O96017 1/20 0.36
TGFBR1 P36897 1/20 0.36
ACVR1 Q04771 1/20 0.36
ACHE P22303 1/20 0.35

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
SCHEMBL985486 0.93 MAP4K4 (0.49) MAP4K4KCNN4TGFBR1ACVR1ACHE
SCHEMBL986129 0.88 ALDH1A1 (0.46) MAP4K4KCNN4CHEK2TGFBR1ACVR1
SCHEMBL984954 0.86 KCNN4 (0.42) KCNN4ACHE
SCHEMBL985174 0.86 KCNN4 (0.45) MAP4K4KCNN4ACHE
SCHEMBL986729 0.85 KCNN4 (0.42) MAP4K4KCNN4CHEK2
SCHEMBL27918495 0.85 KCNN4 (0.41) KCNN4ACHE
SCHEMBL988087 0.85 KCNN4 (0.41) KCNN4ACHE
SCHEMBL982622 0.85 USP7 (0.48) MAP4K4KCNN4TGFBR1
SCHEMBL984938 0.85 KCNN4 (0.46) MAP4K4KCNN4ACHE
SCHEMBL27900679 0.85 KCNN4 (0.39) KCNN4ACHE

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