SCHEMBL20004618

SCHEMBL20004618

COc1cc2c(cc1C#CC(C)(C)O)C(=O)c1c([nH]c3cc(C)ccc13)C2(C)C

nearest known ligand 0.62

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.62

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
SCHEMBL897453 0.90 ALK (0.78) ALK
SCHEMBL7807716 0.90 ALK (0.59) ALK
SCHEMBL21443130 0.80 ALK (0.74) ALK
SCHEMBL24676760 0.79 ALK (0.60) ALK
SCHEMBL20004759 0.78 ALK (0.55) ALK
SCHEMBL897855 0.77 ALK (1.00) ALK
SCHEMBL897185 0.77 ALK (0.79) ALK
SCHEMBL898168 0.77 ALK (0.72) ALK
SCHEMBL898170 0.77 ALK (0.72) ALK
SCHEMBL898169 0.77 ALK (0.72) 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