SCHEMBL6490122

SCHEMBL6490122

NC(=O)CC(C(N)=O)c1nc(-c2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)n[nH]1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 2/20 0.49
MAP2K4 P45985 9/20 0.43
MAPK1 P28482 6/20 0.42
MAPK6 Q16659 4/20 0.42
MAPKAPK3 Q16644 3/20 0.42
MAPKAPK2 P49137 1/20 0.42
MAPKAPK5 Q8IW41 1/20 0.42
CLK2 P49760 1/20 0.37
CLK3 P49761 1/20 0.37
DYRK1A Q13627 1/20 0.37
NTRK1 P04629 1/20 0.36
WNT1 P04628 1/20 0.36
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36
FLT3 P36888 1/20 0.35
MAP2K7 O14733 1/20 0.35
SCN9A Q15858 1/20 0.35

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
SCHEMBL5823117 0.79 CSNK1D (0.57) CSNK1DMAP2K4MAPK1MAPK6MAPKAPK3
SCHEMBL5397818 0.76 CSNK1D (0.54) CSNK1DMAP2K4MAPK1MAPK6MAPKAPK3
SCHEMBL5379446 0.75 NTRK1 (0.46) CSNK1DMAP2K4MAPK1MAPK6MAPKAPK3
SCHEMBL5378106 0.75 MAP2K4 (0.48) CSNK1DMAP2K4MAPK1MAPK6MAPKAPK3
SCHEMBL8254436 0.74 CSNK1D (0.52) CSNK1DMAP2K4MAPK1MAPK6MAPKAPK3
SCHEMBL3756031 0.72 MAP2K4 (0.67) CSNK1DMAP2K4MAPK1MAPK6MAPKAPK3
SCHEMBL5376642 0.72 MAP2K4 (0.52) MAP2K4MAPK1MAPK6MAPKAPK3MAPKAPK2
SCHEMBL5372837 0.72 MAPK1 (0.45) MAP2K4MAPK1MAPK6MAPKAPK3MAPKAPK2
Hydrochloric Acid SCHEMBL27750633 0.71 MAP2K4 (0.65) CSNK1DMAP2K4MAPK1MAPK6MAPKAPK3
SCHEMBL5387317 0.71 CSNK1D (0.59) CSNK1DMAP2K4MAPK1MAPK6MAPKAPK3

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
US-6897231-B2 Indazole derivatives as JNK inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, INC. (US) 2005-05-24 US disclosed