SCHEMBL21443216

SCHEMBL21443216

CC1(C)OC[C@H](COc2ccc3c(c2)C(=O)c2c([nH]c4cc(CN)ccc24)C3(C)C)O1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 17/20 0.53
MAPK14 Q16539 3/20 0.42

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
SCHEMBL20366648 0.90 ALK (0.52) ALKMAPK14
SCHEMBL897429 0.88 ALK (0.64) ALK
SCHEMBL897431 0.88 ALK (0.64) ALK
SCHEMBL897573 0.87 ALK (0.69) ALK
SCHEMBL897571 0.87 ALK (0.69) ALK
SCHEMBL1755860 0.86 ALK (0.52) ALK
SCHEMBL20004278 0.85 ALK (0.51) ALKMAPK14
SCHEMBL897861 0.81 ALK (0.71) ALK
SCHEMBL897860 0.81 ALK (0.71) ALK
SCHEMBL897056 0.80 ALK (0.78) 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-3345903-B1 TETRACYCLIC COMPOUNDS CHUGAI PHARMACEUTICAL CO LTD (JP) 2019-10-09 EP disclosed