SCHEMBL30697882

SCHEMBL30697882

Cc1ccc2c(I)n[nH]c2c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITK Q08881 7/20 0.50
KIF11 P52732 2/20 0.41
MAP2K4 P45985 5/20 0.41
MAPK1 P28482 3/20 0.41
MAPKAPK3 Q16644 3/20 0.41
MAPK6 Q16659 3/20 0.41
MAPKAPK2 P49137 2/20 0.41
MAPKAPK5 Q8IW41 2/20 0.41
RXFP1 Q9HBX9 1/20 0.39
CHEK1 O14757 1/20 0.38
MAP2K7 O14733 1/20 0.38
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL14737362 1.00 ITK (0.50) ITKKIF11MAP2K4MAPK1MAPKAPK3
SCHEMBL13115653 0.85 ABL1 (0.48) ITKMAP2K4MAPK1MAPKAPK3MAPK6
SCHEMBL30310978 0.85 ITK (0.45) ITKKIF11MAP2K4MAPK1MAPKAPK3
SCHEMBL14493350 0.84 MAP2K4 (0.53) ITKMAP2K4MAPK1MAPKAPK3MAPK6
SCHEMBL29937023 0.83 ITK (0.40) ITKMAP2K4MAPK1MAPKAPK3MAPK6
SCHEMBL31552439 0.79 ITK (0.53) ITKKIF11MAP2K4MAPK1MAPKAPK3
SCHEMBL2826429 0.79 NOS1 (0.39) ITKMAP2K4
SCHEMBL12247 0.79 ITK (0.53) ITKKIF11MAP2K4MAPK1MAPKAPK3
SCHEMBL497271 0.78 PDPK1 (0.60) ITK
SCHEMBL1330584 0.76 PDPK1 (0.63) CHEK1

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-2024006379-A1 METHODS AND COMPOUNDS FOR INHIBITING MKK7 ENZYMES AXONIS THERAPEUTICS, INC. (US) 2024-01-04 WO disclosed