SCHEMBL1703589

SCHEMBL1703589

CC(=O)OC[C@H]1OC(C)(C)OC1C(=O)c1ccc2c(c1)C(C)(C)c1[nH]c3cc(Br)ccc3c1C2=O

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.61

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
SCHEMBL10283682 0.85 ALK (0.83) ALK
SCHEMBL898466 0.85 ALK (0.83) ALK
SCHEMBL898222 0.77 ALK (0.54) ALK
SCHEMBL17448488 0.76 ALK (0.64) ALK
SCHEMBL7806000 0.76 ALK (1.00) ALK
SCHEMBL897531 0.76 ALK (1.00) ALK
SCHEMBL1703467 0.76 ALK (1.00) ALK
SCHEMBL897777 0.71 ALK (0.78) ALK
SCHEMBL897780 0.71 ALK (0.78) ALK
SCHEMBL898563 0.71 ALK (0.78) 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-2441753-A1 TETRACYCLIC COMPOUND Chugai Seiyaku Kabushiki Kaisha (JP) 2012-04-18 EP disclosed