SCHEMBL17448485

SCHEMBL17448485

CNc1ccc2c3c([nH]c2c1)C(C)(C)c1cc(OC2CCCN(C(C)C)C2)c(OC(C)C)cc1C3=O

nearest known ligand 0.59

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.59

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
SCHEMBL898230 0.87 ALK (0.78) ALK
SCHEMBL29962891 0.87 ALK (0.78) ALK
SCHEMBL20366611 0.77 ALK (0.63) ALK
SCHEMBL898316 0.77 ALK (0.93) ALK
SCHEMBL29962364 0.77 ALK (0.93) ALK
SCHEMBL7807270 0.76 ALK (0.80) ALK
SCHEMBL897705 0.75 ALK (1.00) ALK
SCHEMBL897706 0.75 ALK (1.00) ALK
SCHEMBL7802133 0.74 ALK (0.72) ALK
SCHEMBL16775686 0.73 ALK (0.72) 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-2975024-A1 TETRACYCLIC COMPOUNDS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-01-20 EP disclosed