SCHEMBL14889458

SCHEMBL14889458

NCCOc1cccc(Nc2ncc(Cl)c(Nc3ccccc3CS(N)(=O)=O)n2)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 11/20 0.50
MET P08581 9/20 0.50
CTSC P53634 1/20 0.48
SYK P43405 2/20 0.45
BRD4 O60885 1/20 0.43
AXL P30530 1/20 0.43
MERTK Q12866 1/20 0.43
NTRK1 P04629 1/20 0.43
MAPK9 P45984 2/20 0.42
MAPK10 P53779 2/20 0.42
STK17B O94768 1/20 0.42
STK17A Q9UEE5 1/20 0.42

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
SCHEMBL541915 0.85 ALK (0.69) ALKMET
SCHEMBL14899917 0.83 ALK (0.50) ALKMETCTSCSYKBRD4
SCHEMBL30833724 0.78 ALK (0.52) ALKMETSYKNTRK1MAPK9
SCHEMBL30833649 0.76 CDK9 (0.47) ALKMETMAPK9MAPK10
SCHEMBL30833714 0.76 ALK (0.46) ALKMETSYKAXLMAPK9
SCHEMBL30833696 0.76 ALK (0.52) ALKMETMAPK9MAPK10
SCHEMBL1035873 0.76 ALK (0.67) ALKMETSYK
SCHEMBL30833643 0.75 ALK (0.43) ALKMETMAPK9MAPK10
SCHEMBL30833776 0.75 ALK (0.48) ALKMETSYK
SCHEMBL30833757 0.75 ALK (0.47) ALKMET

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
EP-2414337-B1 Methods for the identification of kinase interacting molecules and for the purification of kinase proteins CELLZOME GMBH (DE) 2013-05-01 EP disclosed