SCHEMBL20004116

SCHEMBL20004116

CN(C)c1ccc2c3c([nH]c2c1)C1(CCOCC1)c1cc(N2CCN(C(=O)OC(C)(C)C)CC2)c(Br)cc1C3=O

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
SCHEMBL898087 0.88 ALK (0.79) ALK
SCHEMBL25446835 0.86 ALK (0.58) ALK
SCHEMBL20366593 0.86 ALK (0.58) ALK
SCHEMBL7804494 0.80 ALK (0.50) ALK
SCHEMBL1755915 0.79 ALK (0.58) ALK
SCHEMBL16775619 0.79 ALK (0.65) ALK
SCHEMBL897440 0.78 ALK (0.65) ALK
SCHEMBL20004748 0.78 ALK (0.82) ALK
SCHEMBL898262 0.78 ALK (0.71) ALK
SCHEMBL7800549 0.77 ALK (0.55) 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-2975024-B1 TETRACYCLIC COMPOUNDS CHUGAI PHARMACEUTICAL CO LTD (JP) 2018-03-28 EP disclosed