SCHEMBL20004546

SCHEMBL20004546

CC(C)(C)OC(=O)N[S+]([O-])NCCNC(=O)c1ccc2c(c1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O

nearest known ligand 0.68

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.68

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
SCHEMBL10283384 0.92 ALK (0.74) ALK
SCHEMBL20004181 0.88 ALK (0.71) ALK
SCHEMBL10283102 0.87 ALK (0.74) ALK
SCHEMBL21443160 0.87 ALK (0.68) ALK
SCHEMBL16772675 0.84 ALK (0.69) ALK
SCHEMBL897543 0.82 ALK (0.81) ALK
SCHEMBL29962196 0.82 ALK (0.81) ALK
SCHEMBL897252 0.81 ALK (0.86) ALK
SCHEMBL20004146 0.81 ALK (0.78) ALK
SCHEMBL29962417 0.81 ALK (0.86) 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