SCHEMBL1755836

SCHEMBL1755836

C[S+]([O-])CCOc1ccc2c(c1)C(C)(C)c1[nH]c3cc(N)ccc3c1C2=O

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.61

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
SCHEMBL7810678 0.86 ALK (0.65) ALK
SCHEMBL20366317 0.86 ALK (0.77) ALK
SCHEMBL897826 0.86 ALK (0.77) ALK
SCHEMBL7812241 0.85 ALK (0.62) ALK
SCHEMBL1755837 0.85 ALK (0.66) ALK
SCHEMBL29962660 0.85 ALK (0.80) ALK
SCHEMBL1703892 0.85 ALK (0.80) ALK
SCHEMBL7807170 0.85 ALK (0.61) ALK
SCHEMBL7814740 0.84 ALK (0.76) ALK
SCHEMBL7800160 0.83 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2441753-A1 TETRACYCLIC COMPOUND Chugai Seiyaku Kabushiki Kaisha (JP) 2012-04-18 EP disclosed
WO-2010143664-A1 TETRACYCLIC COMPOUND 中外製薬株式会社 (JP) 2010-12-16 WO disclosed