SCHEMBL6070385

SCHEMBL6070385

Cc1cc(CN2CCC(S(C)(=O)=O)CC2)cc(Nc2nccc(-c3ccnn3-c3ccccc3)n2)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.45
FLT1 P17948 2/20 0.45
FLT4 P35916 2/20 0.45
JAK2 O60674 9/20 0.45
JAK3 P52333 7/20 0.45
SYK P43405 3/20 0.38
GSK3B P49841 2/20 0.38
ACHE P22303 1/20 0.36
BACE1 P56817 1/20 0.36
CDK4 P11802 2/20 0.36
CDK2 P24941 2/20 0.36
ABL1 P00519 1/20 0.36
KIT P10721 1/20 0.36
BCR P11274 1/20 0.36
PDGFRA P16234 1/20 0.36
RAD52 P43351 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
SCHEMBL6070077 0.92 JAK2 (0.45) KDRFLT1FLT4JAK2JAK3
SCHEMBL6070209 0.89 KDR (0.48) KDRFLT1FLT4JAK2JAK3
SCHEMBL6069873 0.85 KDR (0.53) KDRFLT1FLT4JAK2JAK3
SCHEMBL6070012 0.85 KDR (0.63) KDRFLT1FLT4JAK2JAK3
SCHEMBL6070240 0.84 KDR (0.54) KDRFLT1FLT4JAK2JAK3
SCHEMBL6070891 0.83 KDR (0.49) KDRFLT1FLT4JAK2JAK3
SCHEMBL6070015 0.80 JAK2 (0.44) KDRFLT1FLT4JAK2JAK3
SCHEMBL6070069 0.79 CDK2 (0.53) KDRFLT1FLT4JAK2SYK
SCHEMBL6070287 0.77 KDR (0.44) KDRFLT1FLT4JAK2JAK3
SCHEMBL6069753 0.76 KCNH2 (0.43) KDRJAK2JAK3SYKGSK3B

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-7109204-B2 controlling signal transduction; anticancer agents, antitumor agents, atherosclerosis, vision defects, antidiabetic agents, antiinflammatory agents MERCK & CO., INC. (US) 2006-09-19 US disclosed