SCHEMBL19133293

SCHEMBL19133293

CC(C)S(C#Cc1ccc(-c2csc(NC(=O)c3ccc(CN4CCN(C)CC4)cc3)n2)cc1)(C(C)C)C(C)C

nearest known ligand 0.78

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.78

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
SCHEMBL19133294 0.91 ALK (0.81) ALK
SCHEMBL19133370 0.90 ALK (0.79) ALK
SCHEMBL19133256 0.89 ALK (0.77) ALK
SCHEMBL19133275 0.88 ALK (0.80) ALK
SCHEMBL19133287 0.88 ALK (0.80) ALK
SCHEMBL16346097 0.88 ALK (1.00) ALK
SCHEMBL18830516 0.87 ALK (0.75) ALK
SCHEMBL12601800 0.87 ALK (0.77) ALK
SCHEMBL18058259 0.87 ALK (0.79) ALK
SCHEMBL16346619 0.85 ALK (1.00) 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
US-9708279-B2 2-acylaminothiazoles for the treatment of cancer UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA (IT) 2017-07-18 US disclosed