SCHEMBL20004753

SCHEMBL20004753

CNc1ccc2c3c([nH]c2c1)C1(CCCC1)c1cc(OC)ccc1C3=O

nearest known ligand 0.50

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.50

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
SCHEMBL29962544 0.85 ALK (0.53) ALK
SCHEMBL897446 0.85 ALK (0.53) ALK
SCHEMBL7801021 0.83 ALK (0.49) ALK
SCHEMBL897811 0.83 ALK (0.70) ALK
SCHEMBL897497 0.77 ALK (0.58) ALK
SCHEMBL7813868 0.77 ALK (0.59) ALK
SCHEMBL29962582 0.77 ALK (0.58) ALK
SCHEMBL18255523 0.76 ALK (0.70) ALK
SCHEMBL897386 0.75 ALK (0.76) ALK
SCHEMBL20004186 0.72 ALK (0.54) 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