SCHEMBL20004790

SCHEMBL20004790

CC1(C)O[C@H](CO)[C@@H](COc2ccc3c(c2)C(C)(C)c2oc4cc(OS(=O)(=O)C(F)(F)F)ccc4c2C3=O)O1

nearest known ligand 0.55

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.55

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
SCHEMBL1704002 0.89 ALK (0.48) ALK
SCHEMBL898393 0.89 ALK (0.48) ALK
SCHEMBL898394 0.85 ALK (0.46) ALK
SCHEMBL20366650 0.85 ALK (0.57) ALK
SCHEMBL20004305 0.85 ALK (0.57) ALK
SCHEMBL898392 0.84 ALK (0.44) ALK
SCHEMBL1704004 0.84 ALK (0.44) ALK
SCHEMBL897054 0.81 ALK (0.62) ALK
SCHEMBL897549 0.80 ALK (0.58) ALK
SCHEMBL898486 0.79 ALK (0.79) ALK

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
EP-3613729-A1 TETRACYCLIC COMPOUNDS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2020-02-26 EP disclosed
EP-2975024-B1 TETRACYCLIC COMPOUNDS CHUGAI PHARMACEUTICAL CO LTD (JP) 2018-03-28 EP disclosed