SCHEMBL20004289

SCHEMBL20004289

CC(C)(O)OC(CCO)COc1ccc2c(c1)C(C)(C)c1[nH]c3cc(Br)ccc3c1C2=O

nearest known ligand 0.65

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.65

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
SCHEMBL20366660 1.00 ALK (0.65) ALK
SCHEMBL20004849 0.90 ALK (0.63) ALK
SCHEMBL20366645 0.90 ALK (0.63) ALK
SCHEMBL20004276 0.86 ALK (0.82) ALK
SCHEMBL20366713 0.86 ALK (0.82) ALK
SCHEMBL20366662 0.86 ALK (0.62) ALK
SCHEMBL898583 0.84 ALK (0.86) ALK
SCHEMBL898608 0.83 ALK (0.79) ALK
SCHEMBL898606 0.83 ALK (0.79) ALK
SCHEMBL898607 0.83 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2975024-B1 TETRACYCLIC COMPOUNDS CHUGAI PHARMACEUTICAL CO LTD (JP) 2018-03-28 EP disclosed