SCHEMBL21747196

SCHEMBL21747196

Cc1cc2c3c([nH]c2cc1Cl)C(C)(C)c1cc(OC[C@H]2OC(C)(C)O[C@H]2C(O[SiH](C)C)C(C)(C)C)ccc1C3=O

nearest known ligand 0.55

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.55

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
SCHEMBL897745 0.95 ALK (0.54) ALK
SCHEMBL897843 0.87 ALK (0.57) ALK
SCHEMBL897782 0.87 ALK (0.69) ALK
SCHEMBL897013 0.86 ALK (0.58) ALK
SCHEMBL897675 0.82 ALK (0.58) ALK
SCHEMBL17434715 0.80 ALK (0.57) ALK
SCHEMBL897676 0.80 ALK (0.54) ALK
SCHEMBL897743 0.77 ALK (0.60) ALK
SCHEMBL897742 0.77 ALK (0.60) ALK
SCHEMBL16775644 0.77 ALK (0.60) 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