SCHEMBL13635709

SCHEMBL13635709

O=C1CC(C(=O)Nc2ccc3[nH]nc(-c4cc5c(o4)C=CCC5)c3c2)c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 5/20 0.38
MAPK10 P53779 1/20 0.38
ITK Q08881 5/20 0.37
ROCK1 Q13464 1/20 0.37
GLS O94925 1/20 0.35
ULK1 O75385 3/20 0.34
LRRK2 Q5S007 3/20 0.34

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
SCHEMBL2871440 0.84 MAPK10 (0.44) PDPK1MAPK10ITKGLSULK1
SCHEMBL13635925 0.79 PDPK1 (0.40) PDPK1MAPK10ITKULK1LRRK2
SCHEMBL2861362 0.68 ROCK1 (0.48) PDPK1MAPK10ITKROCK1ULK1
SCHEMBL2864512 0.66 ITK (0.51) PDPK1MAPK10ITKROCK1ULK1
SCHEMBL2871104 0.65 TTK (0.48) PDPK1ITKROCK1
SCHEMBL13635414 0.64 MAPK10 (0.44) PDPK1MAPK10ITKULK1
SCHEMBL2858355 0.64 PDPK1 (0.46) PDPK1MAPK10ITKULK1
SCHEMBL2861387 0.63 ULK1 (0.59) PDPK1MAPK10ITKULK1
SCHEMBL2879616 0.62 PDPK1 (0.56) PDPK1MAPK10ITKULK1
SCHEMBL2865394 0.62 ALDH1A1 (0.50) PDPK1MAPK10ITKULK1

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-1380576-B1 1H-INDAZOLE COMPOUNDS INHIBITING JNK EISAI R&D MAN CO LTD (JP) 2009-11-25 EP disclosed