SCHEMBL20004264

SCHEMBL20004264

COC1C[C@@H](OC)OC(COc2ccc3c(c2)C(C)(C)c2[nH]c4cc(Br)ccc4c2C3=O)[C@H]1OC(C)=O

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.64

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
SCHEMBL20366395 0.97 ALK (0.64) ALK
SCHEMBL29962099 0.87 ALK (0.74) ALK
SCHEMBL897336 0.87 ALK (0.74) ALK
SCHEMBL1755892 0.85 ALK (0.76) ALK
SCHEMBL20366396 0.85 ALK (0.76) ALK
SCHEMBL16775941 0.80 ALK (0.61) ALK
SCHEMBL10283682 0.79 ALK (0.83) ALK
SCHEMBL898466 0.79 ALK (0.83) ALK
SCHEMBL25446945 0.78 ALK (1.00) ALK
SCHEMBL1703495 0.78 ALK (1.00) 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