SCHEMBL13635739

SCHEMBL13635739

O=C(CCC1CC=CS1)Nc1ccc2[nH]nc(-c3cc4c(s3)CCC=C4)c2c1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 1/20 0.38
ITK Q08881 4/20 0.37
TTK P33981 6/20 0.36
AURKA O14965 5/20 0.36
AURKB Q96GD4 5/20 0.36
PDPK1 O15530 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
SCHEMBL13635246 0.69 ITK (0.44) MAPK10ITKTTKAURKAAURKB
SCHEMBL27539189 0.62 CLK2 (0.44) ITKTTKAURKAAURKB
SCHEMBL13635414 0.62 MAPK10 (0.44) MAPK10ITKPDPK1
SCHEMBL2868617 0.62 MAPK10 (0.58) MAPK10ITKTTKAURKAAURKB
SCHEMBL2855817 0.61 MAPK10 (0.58) MAPK10ITKTTKAURKAAURKB
SCHEMBL2864712 0.59 ITK (0.56) ITKTTKAURKAAURKB
SCHEMBL2861747 0.58 MAPK10 (0.78) MAPK10ITKPDPK1
SCHEMBL2868361 0.58 AURKA (0.50) ITKTTKAURKAAURKB
SCHEMBL2860663 0.57 MAPK10 (0.67) MAPK10ITKPDPK1
SCHEMBL2858445 0.57 MAPK10 (0.67) MAPK10ITKPDPK1

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