SCHEMBL20004123

SCHEMBL20004123

CNc1ccc2c3c([nH]c2c1)C(C)(C)c1cc(OCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)ccc1C3=O

nearest known ligand 0.62

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.62

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
SCHEMBL897761 0.89 ALK (0.74) ALK
SCHEMBL1755797 0.89 ALK (0.62) ALK
SCHEMBL24675616 0.88 ALK (0.62) ALK
SCHEMBL897238 0.87 ALK (0.80) ALK
SCHEMBL898176 0.79 ALK (0.81) ALK
SCHEMBL17434579 0.79 ALK (0.80) ALK
SCHEMBL20366610 0.79 ALK (0.80) ALK
SCHEMBL21747195 0.78 ALK (0.57) ALK
SCHEMBL898623 0.78 ALK (0.81) ALK
SCHEMBL20004843 0.78 ALK (0.75) 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