SCHEMBL17448488

SCHEMBL17448488

CC(=O)OC[C@H]1OC(C)(C)CC[C@@H]1COc1ccc2c(c1)C(C)(C)c1[nH]c3cc(Br)ccc3c1C2=O

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.64

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
SCHEMBL898466 0.87 ALK (0.83) ALK
SCHEMBL10283682 0.87 ALK (0.83) ALK
SCHEMBL897412 0.78 ALK (0.85) ALK
SCHEMBL897861 0.78 ALK (0.71) ALK
SCHEMBL897860 0.78 ALK (0.71) ALK
SCHEMBL897531 0.78 ALK (1.00) ALK
SCHEMBL1703467 0.78 ALK (1.00) ALK
SCHEMBL7806000 0.78 ALK (1.00) ALK
SCHEMBL7809073 0.77 ALK (0.77) ALK
SCHEMBL20366677 0.76 ALK (0.75) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2975024-A1 TETRACYCLIC COMPOUNDS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-01-20 EP disclosed