SCHEMBL6545253

SCHEMBL6545253

NS(=O)(=O)Cc1ccc2[nH]nc(-c3cccc(F)c3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 3/20 0.52
TTK P33981 13/20 0.49
NTRK1 P04629 4/20 0.47
MAPK8 P45983 1/20 0.47
MAP2K7 O14733 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
SCHEMBL6759015 0.83 TAAR1 (0.54) MAP2K4TTKNTRK1
SCHEMBL6545436 0.81 TTK (0.49) MAP2K4TTKMAPK8
SCHEMBL2861096 0.79 MAP2K4 (0.51) MAP2K4TTKNTRK1
SCHEMBL2856182 0.78 NTRK1 (0.49) MAP2K4NTRK1
SCHEMBL14516332 0.76 AURKA (0.59) MAP2K4TTKNTRK1
SCHEMBL6545822 0.75 MAP2K4 (0.44) MAP2K4TTKNTRK1MAPK8
SCHEMBL6545185 0.74 MAP2K4 (0.51) MAP2K4TTKNTRK1MAPK8MAP2K7
SCHEMBL5801740 0.73 MAP2K4 (0.65) MAP2K4TTKNTRK1MAPK8MAP2K7
SCHEMBL2869839 0.73 MAP2K4 (0.61) MAP2K4TTKNTRK1MAP2K7
SCHEMBL2872497 0.73 DYRK1A (0.52) MAP2K4TTKNTRK1

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