SCHEMBL21766950

SCHEMBL21766950

Cn1c2c(c3ccc(Br)cc31)C(=O)c1ccc(O[C@@H]3CCOC34CCN(C(=O)OC(C)(C)C)CC4)cc1C2(C)C

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 19/20 0.74
USP30 Q70CQ3 1/20 0.35

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
SCHEMBL897895 0.87 ALK (0.82) ALK
SCHEMBL20366625 0.85 ALK (1.00) ALK
SCHEMBL898184 0.85 ALK (1.00) ALK
SCHEMBL20366652 0.85 ALK (0.73) ALK
SCHEMBL897399 0.79 ALK (1.00) ALK
SCHEMBL17434686 0.77 ALK (0.89) ALK
SCHEMBL17434562 0.76 ALK (0.84) ALK
SCHEMBL897352 0.76 ALK (0.77) ALK
SCHEMBL20366614 0.73 ALK (0.80) ALK
SCHEMBL898167 0.73 ALK (0.66) 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-3613729-A1 TETRACYCLIC COMPOUNDS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2020-02-26 EP disclosed