SCHEMBL20004952

SCHEMBL20004952

C[C@H](CO)COc1ccc2c(c1)C(C)(C)c1oc3ccc(F)cc3c1C2=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
SCHEMBL897776 0.91 ALK (0.78) ALK
SCHEMBL21443210 0.88 ALK (0.82) ALK
SCHEMBL21443173 0.86 ALK (0.65) ALK
SCHEMBL898821 0.83 ALK (0.80) ALK
SCHEMBL898400 0.83 ALK (0.82) ALK
SCHEMBL10283697 0.83 ALK (0.82) ALK
SCHEMBL29962372 0.83 ALK (0.82) ALK
SCHEMBL20366515 0.83 ALK (0.82) ALK
SCHEMBL898624 0.82 ALK (0.58) ALK
SCHEMBL24676539 0.80 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 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