SCHEMBL21443217

SCHEMBL21443217

CC1(C)c2cc(OCCN[SH](C)(N)=O)ccc2C(=O)c2c1[nH]c1cc(C#N)ccc21

nearest known ligand 0.76

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.76

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
SCHEMBL20366501 0.87 ALK (0.57) ALK
SCHEMBL7812066 0.86 ALK (1.00) ALK
SCHEMBL20004168 0.86 ALK (0.79) ALK
SCHEMBL897430 0.86 ALK (0.82) ALK
SCHEMBL896321 0.86 ALK (1.00) ALK
SCHEMBL29962879 0.86 ALK (1.00) ALK
SCHEMBL10283673 0.86 ALK (1.00) ALK
SCHEMBL897170 0.85 ALK (1.00) ALK
SCHEMBL896536 0.85 ALK (1.00) ALK
SCHEMBL17448480 0.85 ALK (0.76) 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-3345903-B1 TETRACYCLIC COMPOUNDS CHUGAI PHARMACEUTICAL CO LTD (JP) 2019-10-09 EP disclosed