SCHEMBL20004300

SCHEMBL20004300

C=COc1cc2c(cc1OC(C)C)C(=C)c1c([nH]c3cc(C#N)ccc13)C2(C)C

nearest known ligand 0.83

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.83

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
SCHEMBL897320 0.91 ALK (1.00) ALK
SCHEMBL29962735 0.91 ALK (1.00) ALK
SCHEMBL897611 0.80 ALK (0.81) ALK
SCHEMBL897891 0.77 ALK (0.75) ALK
SCHEMBL898078 0.77 ALK (0.75) ALK
SCHEMBL29962694 0.76 ALK (0.74) ALK
SCHEMBL898373 0.76 ALK (0.74) ALK
SCHEMBL22369276 0.76 ALK (0.55) ALK
SCHEMBL898241 0.76 ALK (0.73) ALK
SCHEMBL29962585 0.76 ALK (0.73) 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