SCHEMBL20004509

SCHEMBL20004509

CC1(C)c2cc(OCCN3CC[S+]([O-])CC3)ccc2C(=O)c2c1[nH]c1cc(C#N)ccc21

nearest known ligand 0.79

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.79

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
SCHEMBL896719 0.90 ALK (0.82) ALK
SCHEMBL897474 0.89 ALK (0.81) ALK
SCHEMBL896725 0.88 ALK (1.00) ALK
SCHEMBL897053 0.86 ALK (0.78) ALK
SCHEMBL897225 0.85 ALK (0.74) ALK
SCHEMBL896965 0.85 ALK (1.00) ALK
SCHEMBL21443126 0.84 ALK (0.77) ALK
SCHEMBL20366522 0.84 ALK (0.56) ALK
SCHEMBL21443219 0.82 ALK (0.73) ALK
SCHEMBL20366317 0.82 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 4 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-B1 TETRACYCLIC COMPOUNDS CHUGAI PHARMACEUTICAL CO LTD (JP) 2019-10-09 EP disclosed
EP-3345903-A1 TETRACYCLIC COMPOUNDS Chugai Seiyaku Kabushiki Kaisha (JP) 2018-07-11 EP disclosed
EP-2975024-B1 TETRACYCLIC COMPOUNDS CHUGAI PHARMACEUTICAL CO LTD (JP) 2018-03-28 EP disclosed