SCHEMBL20004181

SCHEMBL20004181

CC(C)(C)OC(=O)N[S+]([O-])NCCOc1ccc2c(c1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O

nearest known ligand 0.71

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.71

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
SCHEMBL10283418 0.90 ALK (0.81) ALK
SCHEMBL29963156 0.90 ALK (0.81) ALK
SCHEMBL20004546 0.88 ALK (0.68) ALK
SCHEMBL897179 0.87 ALK (0.74) ALK
SCHEMBL17448480 0.86 ALK (0.76) ALK
SCHEMBL10272293 0.85 ALK (0.77) ALK
SCHEMBL897170 0.83 ALK (1.00) ALK
SCHEMBL897608 0.83 ALK (1.00) ALK
SCHEMBL897606 0.82 ALK (0.83) ALK
SCHEMBL897132 0.82 ALK (1.00) 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