SCHEMBL2563513

SCHEMBL2563513

Nc1ccc2[nH]nc(-c3cccc(S(N)(=O)=O)c3)c2c1

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TTK P33981 19/20 0.74
MAPK8 P45983 1/20 0.65
MAP2K4 P45985 1/20 0.63

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
Hydrochloric Acid SCHEMBL2557647 0.99 TTK (0.73) TTKMAPK8MAP2K4
Trifluoroacetic Acid SCHEMBL2555732 0.90 TTK (0.65) TTKMAPK8MAP2K4
SCHEMBL2568971 0.88 TTK (0.58) TTKMAPK8MAP2K4
SCHEMBL2566947 0.85 TTK (0.73) TTKMAPK8MAP2K4
SCHEMBL2567517 0.85 TTK (1.00) TTKMAPK8MAP2K4
SCHEMBL2564335 0.85 TTK (1.00) TTKMAPK8MAP2K4
Hydrochloric Acid SCHEMBL2577139 0.84 TTK (0.71) TTKMAPK8MAP2K4
SCHEMBL2564024 0.83 TTK (0.70) TTKMAPK8MAP2K4
SCHEMBL12281363 0.82 TTK (1.00) TTKMAPK8MAP2K4
SCHEMBL2561009 0.82 TTK (0.72) TTKMAPK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011123937-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2011-10-13 WO disclosed
WO-2011123937-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2011-10-13 WO disclosed