SCHEMBL20004568

SCHEMBL20004568

C=NCc1ccc2c3c([nH]c2c1)C(C)(C)c1cc(OCCNC(=O)OC(C)(C)C)ccc1C3=O

nearest known ligand 0.58

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.58

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
SCHEMBL7812176 0.87 ALK (0.63) ALK
SCHEMBL10283418 0.85 ALK (0.81) ALK
SCHEMBL29963156 0.85 ALK (0.81) ALK
SCHEMBL20366469 0.81 ALK (0.54) ALK
SCHEMBL20004083 0.81 ALK (0.55) ALK
SCHEMBL20004129 0.79 ALK (0.72) ALK
SCHEMBL10272293 0.78 ALK (0.77) ALK
SCHEMBL20004559 0.77 ALK (0.81) ALK
SCHEMBL7808160 0.77 ALK (0.64) ALK
SCHEMBL898006 0.76 ALK (0.77) 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