SCHEMBL2350655

SCHEMBL2350655

Cc1ccc(NC(=O)C2CCCCC2)cc1-c1ccc(C(=O)Nc2ccc(-n3cncn3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 8/20 0.59
▸ ABL1 P00519 6/20 0.47
▸ RIPK2 O43353 2/20 0.47
▸ ROCK1 Q13464 1/20 0.47
▸ RAF1 P04049 1/20 0.45
▸ HSPB1 P04792 1/20 0.45
▸ LYN P07948 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ KCNK3 O14649 1/20 0.44
▸ KCNK9 Q9NPC2 1/20 0.44

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
SCHEMBL2345469 0.95 MAPK14 (0.57) MAPK14ABL1RIPK2ROCK1
SCHEMBL2347532 0.80 MAPK14 (0.71) MAPK14ABL1HSPB1KCNK3KCNK9
SCHEMBL2347961 0.78 MAPK14 (0.62) MAPK14ABL1RAF1HSPB1LYN
SCHEMBL2346102 0.78 MAPK14 (0.65) MAPK14ABL1RAF1HSPB1LYN
SCHEMBL2346050 0.77 ABL1 (0.67) MAPK14ABL1HSPB1KCNK3KCNK9
SCHEMBL2911825 0.77 MAPK14 (0.71) MAPK14ABL1KDM4E
SCHEMBL2342855 0.77 MAPK14 (0.71) MAPK14ABL1KDM4E
SCHEMBL2912814 0.75 MAPK14 (0.71) MAPK14ABL1KDM4EHTT
SCHEMBL2346300 0.75 MAPK14 (0.61) MAPK14ABL1
SCHEMBL2352219 0.75 ABL1 (0.64) MAPK14ABL1RAF1HSPB1LYN

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-8008303-B2 e.g. 6-Methyl-biphenyl-3,4'-dicarboxylic acid 4'-[(3-bromo-phenyl)-amide]-[(4 morpholin-4-yl-phenyl)-amide]; viricide; with other active viricide such as interferon or ribavirin ASTRAZENECA AB (SE) 2011-08-30 — — US disclosed
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