SCHEMBL20004134

SCHEMBL20004134

C/N=C/c1ccc2c3c([nH]c2c1)C(C)(C)c1ccc(OC[C@H]2OC(C)(C)O[C@@H]2CO[Si](C)(C)C(C)(C)C)cc1C3=O

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.52

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
SCHEMBL21443166 0.88 ALK (0.56) ALK
SCHEMBL897251 0.87 ALK (0.68) ALK
SCHEMBL897617 0.86 ALK (0.59) ALK
SCHEMBL16775684 0.81 ALK (0.64) ALK
SCHEMBL898031 0.81 ALK (0.64) ALK
SCHEMBL20004278 0.81 ALK (0.51) ALK
SCHEMBL897839 0.81 ALK (0.64) ALK
SCHEMBL897780 0.81 ALK (0.78) ALK
SCHEMBL897777 0.81 ALK (0.78) ALK
SCHEMBL898563 0.81 ALK (0.78) 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