SCHEMBL1992129

SCHEMBL1992129

O=S(=O)(Nc1c(Nc2ccc(I)cc2F)c(F)c(F)c2ncoc12)C1CC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.38
MAP2K1 Q02750 16/20 0.37
MAP2K2 P36507 7/20 0.37
CHEK1 O14757 1/20 0.35
MAPK10 P53779 1/20 0.35
PRKAG1 P54619 1/20 0.35
ADCK1 Q86TW2 1/20 0.35
PRKAG2 Q9UGJ0 1/20 0.35
KIT P10721 1/20 0.33
AURKA O14965 1/20 0.33
TNFRSF1A P19438 1/20 0.33
KDR P35968 1/20 0.33
MAP3K9 P80192 1/20 0.33
CA2 P00918 1/20 0.33
BRAF P15056 1/20 0.33

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
SCHEMBL1992988 0.88 TDP1 (0.36) MAP2K1MAP2K2KITBRAF
SCHEMBL12539792 0.85 MAP2K1 (0.37) IDO1MAP2K1MAP2K2CHEK1MAPK10
SCHEMBL1981292 0.84 MAP2K1 (0.43) IDO1MAP2K1MAP2K2CHEK1MAPK10
SCHEMBL1992506 0.83 MAP2K1 (0.36) IDO1MAP2K1MAP2K2CHEK1MAPK10
SCHEMBL15129697 0.83 IDO1 (0.37) IDO1MAP2K1MAP2K2CHEK1MAPK10
SCHEMBL2004405 0.82 IDO1 (0.37) IDO1MAP2K1MAP2K2CHEK1MAPK10
SCHEMBL1978944 0.82 MAP2K1 (0.49) IDO1MAP2K1MAP2K2CHEK1MAPK10
SCHEMBL12597717 0.82 MAP2K1 (0.40) IDO1MAP2K1MAP2K2CHEK1MAPK10
SCHEMBL1979721 0.80 MAP2K1 (0.44) IDO1MAP2K1MAP2K2CHEK1MAPK10
SCHEMBL2048640 0.80 MAP2K1 (0.32) IDO1MAP2K1MAP2K2CHEK1MAPK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2509964-B1 Heterocyclic sulfonamide derivatives NOVARTIS AG (CH) 2014-04-30 EP claimed
WO-2011070030-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES NOVARTIS AG (CH) 2011-06-16 WO disclosed
WO-2011070030-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES NOVARTIS AG (CH) 2011-06-16 WO disclosed