SCHEMBL13635925

SCHEMBL13635925

CC1(C)OC(=O)CC1C(=O)Nc1ccc2[nH]nc(-c3cc4c(o3)C=CCC4)c2c1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 8/20 0.40
ITK Q08881 5/20 0.37
ULK1 O75385 2/20 0.34
LRRK2 Q5S007 3/20 0.34
MAPK10 P53779 1/20 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
SCHEMBL2858355 0.82 PDPK1 (0.46) PDPK1ITKULK1MAPK10
SCHEMBL13635709 0.79 PDPK1 (0.38) PDPK1ITKULK1LRRK2MAPK10
SCHEMBL2864512 0.63 ITK (0.51) PDPK1ITKULK1MAPK10
SCHEMBL13635414 0.62 MAPK10 (0.44) PDPK1ITKULK1MAPK10
SCHEMBL2871440 0.61 MAPK10 (0.44) PDPK1ITKULK1MAPK10
SCHEMBL2861387 0.60 ULK1 (0.59) PDPK1ITKULK1MAPK10
SCHEMBL2865394 0.59 ALDH1A1 (0.50) PDPK1ITKULK1MAPK10
SCHEMBL13198206 0.59 PDPK1 (0.54) PDPK1ITKULK1MAPK10
SCHEMBL15353811 0.59 PDPK1 (0.61) PDPK1ITKULK1MAPK10
SCHEMBL6426295 0.58 AURKA (0.40)

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