SCHEMBL21766840

SCHEMBL21766840

C/N=C/C1C=Cc2c3c(n(CCOC)c2C2CC12)C(C)(C)c1cc(OCCOC)c(OC(C)C)cc1C3=O

nearest known ligand 0.51

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 2/20 0.51

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
SCHEMBL24676875 0.72 ALK (0.73) ALK
SCHEMBL25447253 0.70 ALK (0.74) ALK
SCHEMBL21443191 0.68 ALK (0.64) ALK
SCHEMBL29962727 0.67 ALK (1.00) ALK
SCHEMBL25447252 0.67 ALK (0.85) ALK
SCHEMBL898439 0.67 ALK (1.00) ALK
SCHEMBL24675792 0.62 ALK (0.53) ALK
SCHEMBL21766839 0.58 ALK (0.52) ALK
SCHEMBL29962694 0.57 ALK (0.74) ALK
SCHEMBL20366419 0.57 ALK (0.54) 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