SCHEMBL7810179

SCHEMBL7810179

CC1(C)OC[C@@H](COc2cccc3c2C(C)(C)c2[nH]c4cc(N)ccc4c2C3=O)O1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 11/20 0.47
MAPK14 Q16539 9/20 0.45

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
SCHEMBL897692 0.88 ALK (0.63) ALK
SCHEMBL897690 0.88 ALK (0.63) ALK
SCHEMBL1755908 0.79 ALK (0.50) ALK
SCHEMBL21766971 0.77 ALK (0.50) ALK
SCHEMBL7815431 0.76 ALK (0.53) ALKMAPK14
SCHEMBL10272638 0.75 ALK (0.75) ALK
SCHEMBL898094 0.75 ALK (0.47) ALK
SCHEMBL898095 0.75 ALK (0.47) ALK
SCHEMBL897418 0.75 ALK (0.51) ALK
SCHEMBL7814161 0.75 ALK (0.51) 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