SCHEMBL20004659

SCHEMBL20004659

CN(CCO)CC(=O)c1ccc2c(c1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O

nearest known ligand 0.77

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.77

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
SCHEMBL897580 0.88 ALK (0.85) ALK
SCHEMBL29962425 0.88 ALK (0.85) ALK
SCHEMBL897823 0.87 ALK (1.00) ALK
SCHEMBL897515 0.82 ALK (1.00) ALK
SCHEMBL20004197 0.80 ALK (0.80) ALK
SCHEMBL29962434 0.79 ALK (1.00) ALK
SCHEMBL897171 0.79 ALK (1.00) ALK
SCHEMBL898059 0.79 ALK (0.73) ALK
SCHEMBL29962503 0.79 ALK (0.73) ALK
SCHEMBL897256 0.79 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