SCHEMBL5801247

SCHEMBL5801247

N#Cc1ccc2[nH]nc(Br)c2c1.N#Cc1ccc2[nH]ncc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 3/20 0.46
METAP2 P50579 2/20 0.46
CSNK2A1 P68400 1/20 0.46
ITK Q08881 1/20 0.44
TRPA1 O75762 1/20 0.42
MAPK10 P53779 1/20 0.41
RIPK1 Q13546 1/20 0.41
ROCK2 O75116 3/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
ROCK1 Q13464 1/20 0.40
HIF1A Q16665 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAOA P21397 1/20 0.39

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
Indazole SCHEMBL2732978 0.91 ITK (0.53) NOS1METAP2CSNK2A1ITKTRPA1
SCHEMBL30548034 0.87 ITK (0.50) ITKMAPK10RIPK1CHUKIMPDH2
SCHEMBL2870356 0.87 ITK (0.50) ITKMAPK10RIPK1CHUKIMPDH2
SCHEMBL774832 0.84 TRPA1 (0.54) NOS1METAP2CSNK2A1TRPA1MAPK10
SCHEMBL29740998 0.84 TRPA1 (0.54) NOS1METAP2CSNK2A1TRPA1MAPK10
Hydrochloric Acid SCHEMBL5419653 0.82 TRPA1 (0.53) NOS1METAP2CSNK2A1TRPA1MAPK10
SCHEMBL30548023 0.75 TTK (0.51) NOS1METAP2ITKTRPA1MAPK10
SCHEMBL11963314 0.75 TTK (0.51) NOS1METAP2ITKTRPA1MAPK10
SCHEMBL3683853 0.74 METAP2 (0.46) METAP2ITKTRPA1MAPK10RIPK1
SCHEMBL5822869 0.73 ITK (0.39) ITKCHUKGSK3BMETJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1618093-A2 INDAZOLE DERIVATIVES AS JNK INHIBITORS Signal Pharmaceuticals LLC (US) 2006-01-25 EP disclosed
WO-2004094388-A2 INDAZOLE DERIVATIVES AS JNK INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2004-11-04 WO disclosed
EP-1313711-A2 INDAZOLE DERIVATIVES AS JNK INHIBITORS SIGNAL PHARMACEUTICALS, INC. (US) 2003-05-28 EP disclosed
WO-2002010137-A2 INDAZOLE DERIVATIVES AS JNK INHIBITORS SIGNAL PHARMACEUTICALS, INC. (US) 2002-02-07 WO disclosed