SCHEMBL20004218

SCHEMBL20004218

CC1(C)c2cc(CN3CCSCC3)ccc2C(=O)c2c1[nH]c1cc(C#N)ccc21

nearest known ligand 0.79

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.79

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
SCHEMBL28017483 0.90 ALK (0.82) ALK
SCHEMBL897476 0.90 ALK (0.84) ALK
SCHEMBL897575 0.89 ALK (0.79) ALK
SCHEMBL10283110 0.89 ALK (1.00) ALK
SCHEMBL897443 0.88 ALK (1.00) ALK
SCHEMBL20004145 0.88 ALK (0.79) ALK
SCHEMBL21443126 0.88 ALK (0.77) ALK
SCHEMBL899031 0.88 ALK (0.85) ALK
SCHEMBL20366506 0.87 ALK (0.77) ALK
SCHEMBL18255518 0.86 ALK (0.79) 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