SCHEMBL20004694

SCHEMBL20004694

COc1cc2c(cc1SN(C)C)C(=O)c1c(n(C)c3cc(C#N)ccc13)C2(C)C

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.53

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
SCHEMBL17636118 0.85 ALK (0.54) ALK
SCHEMBL897714 0.84 ALK (0.57) ALK
SCHEMBL20004692 0.82 ALK (0.52) ALK
SCHEMBL897165 0.79 ALK (0.62) ALK
SCHEMBL10272274 0.71 ALK (0.59) ALK
SCHEMBL20004558 0.71 ALK (0.63) ALK
SCHEMBL1703864 0.70 ALK (0.59) ALK
SCHEMBL20004495 0.70 ALK (0.58) ALK
SCHEMBL897365 0.70 ALK (1.00) ALK
SCHEMBL896771 0.69 ALK (0.74) 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