SCHEMBL6490127

SCHEMBL6490127

CNCCCc1nc(-c2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)n[nH]1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 2/20 0.60
NTRK1 P04629 2/20 0.42
MPO P05164 1/20 0.40
MAP2K4 P45985 7/20 0.38
NAMPT P43490 3/20 0.37
MAPK1 P28482 6/20 0.36
MAPK6 Q16659 4/20 0.36
MAPKAPK3 Q16644 3/20 0.36
MAPKAPK2 P49137 2/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MAPKAPK5 Q8IW41 1/20 0.36
ROCK2 O75116 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
SCHEMBL5381307 0.88 CSNK1D (0.63) CSNK1DNTRK1MAP2K4MAPK1MAPK6
SCHEMBL5387634 0.87 CSNK1D (0.62) CSNK1DNTRK1MAP2K4MAPK1MAPK6
SCHEMBL5372371 0.86 CSNK1D (0.64) CSNK1DNTRK1MAP2K4MAPK1MAPK6
SCHEMBL5383834 0.85 CSNK1D (0.60) CSNK1DNTRK1MAP2K4MAPK1MAPK6
SCHEMBL5373431 0.83 CSNK1D (0.68) CSNK1DNTRK1MAP2K4MAPK1MAPK6
SCHEMBL5381786 0.82 CSNK1D (0.62) CSNK1DNTRK1MPOMAP2K4MAPK1
SCHEMBL5383360 0.82 CSNK1D (0.62) CSNK1DNTRK1MAP2K4MAPK1MAPK6
SCHEMBL5372751 0.80 CSNK1D (0.62) CSNK1DNTRK1MAP2K4MAPK1MKNK1
SCHEMBL5372967 0.80 CSNK1D (0.64) CSNK1DNTRK1MAP2K4MAPK1MAPK6
SCHEMBL5377874 0.80 CSNK1D (0.67) CSNK1DNTRK1MAP2K4MAPK1MAPK6

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