SCHEMBL6070077

SCHEMBL6070077

CS(=O)(=O)C1CCN(Cc2cc(Cl)cc(Nc3nccc(-c4ccnn4-c4ccccc4)n3)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 9/20 0.45
JAK3 P52333 7/20 0.45
ACHE P22303 2/20 0.39
BACE1 P56817 2/20 0.39
SYK P43405 1/20 0.38
GSK3B P49841 1/20 0.37
KDR P35968 2/20 0.37
FLT1 P17948 1/20 0.37
FLT4 P35916 1/20 0.37
LTA4H P09960 2/20 0.36
CAMK2D Q13557 1/20 0.36
MAPK1 P28482 1/20 0.36
EGFR P00533 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
SCHEMBL6070385 0.92 KDR (0.45) JAK2JAK3ACHEBACE1SYK
SCHEMBL6070015 0.89 JAK2 (0.44) JAK2JAK3SYKGSK3BKDR
SCHEMBL6070287 0.85 KDR (0.44) JAK2JAK3SYKGSK3BKDR
SCHEMBL6069930 0.85 KDR (0.52) JAK2JAK3SYKGSK3BKDR
SCHEMBL6071031 0.83 KDR (0.43) JAK2JAK3SYKGSK3BKDR
SCHEMBL6069836 0.83 FLT1 (0.40) JAK2JAK3SYKGSK3BKDR
SCHEMBL6070209 0.80 KDR (0.48) JAK2JAK3SYKGSK3BKDR
SCHEMBL6070201 0.77 SYK (0.41) JAK2JAK3SYKGSK3BKDR
SCHEMBL6069873 0.77 KDR (0.53) JAK2JAK3SYKGSK3BKDR
SCHEMBL6070012 0.76 KDR (0.63) JAK2JAK3GSK3BKDRFLT1

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