SCHEMBL7804652

SCHEMBL7804652

CC1(C)OC[C@H](COc2ccc3c(c2)C(C)(C)c2[nH]c4cc(C=N)ccc4c2C3=O)O1

nearest known ligand 0.60

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.60

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
SCHEMBL1755860 0.93 ALK (0.52) ALK
SCHEMBL897860 0.89 ALK (0.71) ALK
SCHEMBL897861 0.89 ALK (0.71) ALK
SCHEMBL897056 0.86 ALK (0.78) ALK
SCHEMBL898110 0.86 ALK (0.78) ALK
SCHEMBL20004278 0.84 ALK (0.51) ALK
SCHEMBL897306 0.84 ALK (0.58) ALK
SCHEMBL29962566 0.84 ALK (0.58) ALK
SCHEMBL897304 0.84 ALK (0.58) ALK
SCHEMBL900039 0.83 ALK (0.57) 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
WO-2010143664-A1 TETRACYCLIC COMPOUND 中外製薬株式会社 (JP) 2010-12-16 WO disclosed