SCHEMBL27680477

SCHEMBL27680477

NS(=O)(=O)c1ccc(Nc2nccc(-c3ccc(N(C=O)C4CCCC4)cc3)n2)cc1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 15/20 0.62
MAPK8 P45983 1/20 0.59
MAPK10 P53779 1/20 0.59
JAK2 O60674 1/20 0.56
DKK1 O94907 2/20 0.55
GSK3B P49841 2/20 0.55
CHUK O15111 1/20 0.55
SMG1 Q96Q15 2/20 0.49
MTOR P42345 1/20 0.49

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
SCHEMBL3522035 0.81 IKBKB (0.68) IKBKBMAPK8MAPK10JAK2DKK1
SCHEMBL3518099 0.78 IKBKB (0.64) IKBKBMAPK8MAPK10JAK2DKK1
SCHEMBL3519764 0.77 IKBKB (0.97) IKBKBMAPK8MAPK10JAK2DKK1
SCHEMBL3520622 0.76 IKBKB (0.79) IKBKBMAPK8MAPK10JAK2DKK1
SCHEMBL3516622 0.76 IKBKB (1.00) IKBKBMAPK8MAPK10JAK2DKK1
SCHEMBL3518049 0.76 IKBKB (0.79) IKBKBMAPK8MAPK10JAK2DKK1
SCHEMBL3519410 0.76 IKBKB (0.79) IKBKBMAPK8MAPK10JAK2DKK1
SCHEMBL3519939 0.76 IKBKB (1.00) IKBKBMAPK8MAPK10JAK2DKK1
SCHEMBL3520628 0.76 IKBKB (0.74) IKBKBMAPK8MAPK10JAK2DKK1
SCHEMBL3518043 0.76 IKBKB (0.74) IKBKBMAPK8MAPK10JAK2DKK1

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
CN-101039919-A N-benzenesulfonyl substituted anilino-pyrimidine analogs WYETH CORP (US) 2007-09-19 CN claimed
CN-101039919-A N-benzenesulfonyl substituted anilino-pyrimidine analogs WYETH CORP (US) 2007-09-19 CN disclosed