SCHEMBL1755844

SCHEMBL1755844

CC1(C)OC[C@H](COc2ccc3c(c2)C(C)(C)c2[nH]c4c(N)c(N)ccc4c2C3=O)O1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 16/20 0.55
MAPK14 Q16539 4/20 0.48

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
SCHEMBL1755900 0.93 ALK (0.54) ALKMAPK14
SCHEMBL1755960 0.92 ALK (0.55) ALKMAPK14
SCHEMBL1756002 0.92 ALK (0.53) ALKMAPK14
SCHEMBL7813077 0.92 ALK (0.55) ALKMAPK14
SCHEMBL7812068 0.91 ALK (0.54) ALKMAPK14
SCHEMBL1755980 0.90 ALK (0.51) ALKMAPK14
SCHEMBL20366612 0.89 ALK (0.50) ALKMAPK14
SCHEMBL897546 0.86 ALK (0.52) ALKMAPK14
SCHEMBL897545 0.86 ALK (0.52) ALKMAPK14
SCHEMBL898131 0.86 ALK (0.64) 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