SCHEMBL31190844

SCHEMBL31190844

Cc1cccc2[nH]nc(I)c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.51
MAP2K4 P45985 1/20 0.51
MAPKAPK2 P49137 1/20 0.51
MAPK6 Q16659 1/20 0.51
PDPK1 O15530 2/20 0.47
ADRA2A P08913 1/20 0.43
GPR84 Q9NQS5 1/20 0.39
GAA P10253 1/20 0.39
PARP1 P09874 2/20 0.37
CHEK1 O14757 3/20 0.36
KDR P35968 3/20 0.36
CYP1A2 P05177 2/20 0.36
KIT P10721 2/20 0.36
FLT3 P36888 2/20 0.36
MAPK8 P45983 2/20 0.36
MAPK9 P45984 2/20 0.36
MAPK10 P53779 2/20 0.36
PLK4 O00444 2/20 0.36
AURKA O14965 2/20 0.36
LCK P06239 2/20 0.36

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
SCHEMBL14631680 1.00 MAPK1 (0.51) MAPK1MAP2K4MAPKAPK2MAPK6PDPK1
SCHEMBL5209867 0.81 PDPK1 (0.68) MAPK1MAP2K4MAPKAPK2MAPK6PDPK1
SCHEMBL8404437 0.79 MAPK1 (0.54) MAPK1MAP2K4MAPKAPK2MAPK6PDPK1
SCHEMBL24455090 0.76 MAPK1 (0.51) MAPK1MAP2K4MAPKAPK2MAPK6PDPK1
SCHEMBL12866145 0.76 MAP2K4 (0.51) MAPK1MAP2K4MAPKAPK2MAPK6PDPK1
SCHEMBL30548041 0.76 MAPK1 (0.51) MAPK1MAP2K4MAPKAPK2MAPK6PDPK1
SCHEMBL569660 0.76 GAA (0.61) MAPK1MAP2K4MAPKAPK2MAPK6PDPK1
SCHEMBL16724833 0.76 PDPK1 (0.47) MAPK1MAP2K4MAPKAPK2MAPK6PDPK1
SCHEMBL5952759 0.76 PDPK1 (0.47) MAPK1MAP2K4MAPKAPK2MAPK6PDPK1
SCHEMBL28445675 0.76 MAPK1 (0.60) MAPK1MAP2K4MAPKAPK2MAPK6PDPK1

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
WO-2024220747-A2 FLUORINATED CYCLIC DERIVATIVES OF SULFONAMIDES AND SULFONES, AND COMPOSITIONS AND METHODS THEREOF Lysoway Therapeutics, Inc. (US) 2024-10-24 WO disclosed