SCHEMBL20004840

SCHEMBL20004840

CC1(C)c2cc(OCC(O)CCO)ccc2C(=O)c2c1oc1cc(C#N)ccc21

nearest known ligand 0.69

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.69

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
SCHEMBL20004838 1.00 ALK (0.69) ALK
SCHEMBL898634 0.91 ALK (0.78) ALK
SCHEMBL20004307 0.89 ALK (0.58) ALK
SCHEMBL25445434 0.87 ALK (0.72) ALK
SCHEMBL25445439 0.87 ALK (0.78) ALK
SCHEMBL20004424 0.83 ALK (0.66) ALK
SCHEMBL20366789 0.83 ALK (0.66) ALK
SCHEMBL20356912 0.81 ALK (1.00) ALK
SCHEMBL24676305 0.81 ALK (1.00) ALK
SCHEMBL898376 0.81 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