SCHEMBL20004161

SCHEMBL20004161

C=NCc1ccc2c3c([nH]c2c1)C(C)(C)c1cc(OC)c(C#CC(=O)O)cc1C3=O

nearest known ligand 0.72

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.72

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
SCHEMBL897762 0.83 ALK (1.00) ALK
SCHEMBL24676174 0.79 ALK (0.55) ALK
SCHEMBL21443169 0.78 ALK (0.51) ALK
SCHEMBL24676415 0.78 ALK (0.52) ALK
SCHEMBL20366566 0.77 ALK (0.61) ALK
SCHEMBL20004693 0.76 ALK (0.47) ALK
SCHEMBL897037 0.76 ALK (0.85) ALK
SCHEMBL24676761 0.74 ALK (0.73) ALK
SCHEMBL21443129 0.74 ALK (0.52) ALK
SCHEMBL21613397 0.74 ALK (0.48) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3345903-B1 TETRACYCLIC COMPOUNDS CHUGAI PHARMACEUTICAL CO LTD (JP) 2019-10-09 EP disclosed
EP-2975024-B1 TETRACYCLIC COMPOUNDS CHUGAI PHARMACEUTICAL CO LTD (JP) 2018-03-28 EP disclosed