SCHEMBL20366555

SCHEMBL20366555

COc1cc2c(cc1[S+]([O-])N1CCN(C)CC1)Cc1c([nH]c3c1C=CC(C)(Br)C3)C2(C)C

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.31

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
SCHEMBL20004149 0.77 ALK (0.50) ALK
SCHEMBL21443150 0.70 ALK (0.35) ALK
SCHEMBL20004601 0.69 ALDH1A1 (0.34) ALK
SCHEMBL20004151 0.58 ALK (0.51) ALK
SCHEMBL897370 0.57 ALK (0.75) ALK
SCHEMBL897744 0.55 ALK (0.50) ALK
SCHEMBL16775676 0.54 ALK (0.47) ALK
SCHEMBL27087539 0.53 ALK (0.48) ALK
SCHEMBL896950 0.53 CA1 (0.40) ALK
SCHEMBL25446306 0.52 ALK (0.43) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3613729-A1 TETRACYCLIC COMPOUNDS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2020-02-26 EP disclosed
EP-3345903-A1 TETRACYCLIC COMPOUNDS Chugai Seiyaku Kabushiki Kaisha (JP) 2018-07-11 EP disclosed