SCHEMBL20004495

SCHEMBL20004495

Cn1c2c(c3ccc(C#N)cc31)C(=O)c1ccc(OCCCO)cc1C2(C)C

nearest known ligand 0.58

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.58

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
SCHEMBL10272274 0.95 ALK (0.59) ALK
SCHEMBL21443120 0.91 ALK (0.65) ALK
SCHEMBL20004085 0.89 ALK (0.54) ALK
SCHEMBL10246393 0.87 ALK (0.75) ALK
SCHEMBL21766991 0.87 ALK (0.61) ALK
SCHEMBL24676302 0.87 ALK (0.64) ALK
SCHEMBL897084 0.87 ALK (0.78) ALK
SCHEMBL897086 0.87 ALK (0.78) ALK
SCHEMBL897082 0.87 ALK (0.78) ALK
SCHEMBL20004281 0.86 ALK (0.62) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3613729-A1 TETRACYCLIC COMPOUNDS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2020-02-26 EP disclosed
EP-3345903-B1 TETRACYCLIC COMPOUNDS CHUGAI PHARMACEUTICAL CO LTD (JP) 2019-10-09 EP disclosed
EP-3345903-A1 TETRACYCLIC COMPOUNDS Chugai Seiyaku Kabushiki Kaisha (JP) 2018-07-11 EP disclosed
EP-2975024-B1 TETRACYCLIC COMPOUNDS CHUGAI PHARMACEUTICAL CO LTD (JP) 2018-03-28 EP disclosed