SCHEMBL6545151

SCHEMBL6545151

NC(=O)C1(c2ccc3[nH]nc(-c4cccc(NC(=O)C5CC5)c4)c3c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TTK P33981 3/20 0.49
PDPK1 O15530 2/20 0.49
CSNK2A1 P68400 1/20 0.49
AAK1 Q2M2I8 5/20 0.48
ULK1 O75385 4/20 0.48
ITK Q08881 1/20 0.46
MAPK8 P45983 1/20 0.44
CLK2 P49760 1/20 0.44
CLK3 P49761 1/20 0.44
DYRK1A Q13627 1/20 0.44
AURKA O14965 2/20 0.44
MAP2K7 O14733 1/20 0.44
GAK O14976 1/20 0.44
STK16 O75716 1/20 0.44
BMP2K Q9NSY1 1/20 0.44
SYK P43405 1/20 0.43

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
SCHEMBL2865036 0.84 PDPK1 (0.65) TTKPDPK1CSNK2A1AAK1ULK1
SCHEMBL5381639 0.83 AAK1 (0.59) TTKPDPK1CSNK2A1AAK1ULK1
SCHEMBL8254064 0.78 ULK1 (0.59) TTKPDPK1CSNK2A1AAK1ULK1
SCHEMBL5381303 0.76 AAK1 (0.52) TTKPDPK1CSNK2A1AAK1ULK1
SCHEMBL6545189 0.75 MAPKAPK2 (0.46) TTKMAPK8SYK
SCHEMBL5382027 0.74 MAPK10 (0.58) TTKPDPK1CSNK2A1AAK1ULK1
SCHEMBL10214710 0.73 MAPKAPK2 (0.58) PDPK1ULK1ITK
SCHEMBL5377953 0.72 CLK2 (0.53) TTKPDPK1CSNK2A1AAK1ITK
SCHEMBL2871320 0.72 PDPK1 (0.66) PDPK1CSNK2A1ULK1ITKCLK2
SCHEMBL6782521 0.71 PARP1 (0.60) CSNK2A1AAK1ULK1

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-A1 NOVEL 1H-INDAZOLE COMPOUND Eisai Co., Ltd. (JP) 2004-01-14 EP disclosed