SCHEMBL1725542

SCHEMBL1725542

CCCNC(=O)c1cc(F)c(C)c(-c2ccc3c(=O)n(CC4CC4)cc(S(=O)(=O)C4CCNCC4)c3c2)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.41
CYP2C9 P11712 6/20 0.41
MAPK11 Q15759 2/20 0.34
MAPK13 O15264 5/20 0.34
SGK1 O00141 1/20 0.33
BUB1 O43683 1/20 0.33
PRKACG P22612 1/20 0.33
MAPKAPK2 P49137 1/20 0.33
ACSL5 Q9ULC5 1/20 0.33
STK24 Q9Y6E0 1/20 0.33

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
SCHEMBL1722189 0.91 MAPK14 (0.48) MAPK14CYP2C9MAPK13SGK1
SCHEMBL1710597 0.81 MAPK14 (0.47) MAPK14CYP2C9MAPK13SGK1
SCHEMBL2395568 0.81 MAPK14 (0.48) MAPK14CYP2C9MAPK13SGK1
SCHEMBL2398076 0.81 MAPK14 (0.47) MAPK14CYP2C9MAPK13
SCHEMBL1710598 0.79 MAPK14 (0.46) MAPK14CYP2C9MAPK13SGK1
SCHEMBL1726490 0.76 MAPK14 (0.49) MAPK14CYP2C9MAPK11MAPK13SGK1
SCHEMBL2394709 0.76 MAPK14 (0.49) MAPK14CYP2C9MAPK13SGK1
SCHEMBL2392452 0.76 MAPK14 (0.49) MAPK14CYP2C9MAPK13SGK1
SCHEMBL2390226 0.76 MAPK14 (0.55) MAPK14CYP2C9MAPK11MAPK13SGK1
SCHEMBL1710670 0.75 MAPK14 (0.48) MAPK14CYP2C9MAPK13SGK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2344472-A1 ISOQUINOLINONE DERIVATIVES AstraZeneca AB (SE) 2011-07-20 EP disclosed
WO-2010039079-A1 ISOQUINOLINONE DERIVATIVES ASTRAZENECA AB (SE) 2010-04-08 WO disclosed