SCHEMBL20004130

SCHEMBL20004130

CCN(CC)CCOc1cc2c(cc1[S+]([O-])N(C)C)C(=O)c1c([nH]c3cc(C#N)ccc13)C2(C)C

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 18/20 0.73
SRPK1 Q96SB4 2/20 0.51
SRPK2 P78362 1/20 0.51
EML4 Q9HC35 1/20 0.51

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
SCHEMBL20004557 0.90 ALK (0.58) ALKSRPK1SRPK2EML4
SCHEMBL897532 0.85 ALK (0.74) ALKSRPK1SRPK2EML4
SCHEMBL20366524 0.85 ALK (0.74) ALKSRPK1SRPK2EML4
SCHEMBL20366522 0.85 ALK (0.56) ALKSRPK1SRPK2EML4
SCHEMBL896697 0.84 ALK (1.00) ALK
SCHEMBL29962169 0.84 ALK (0.77) ALKSRPK1SRPK2EML4
SCHEMBL898223 0.84 ALK (0.77) ALKSRPK1SRPK2EML4
SCHEMBL20366529 0.84 ALK (0.57) ALKSRPK1SRPK2EML4
SCHEMBL20004664 0.83 ALK (0.70) ALKSRPK1SRPK2EML4
SCHEMBL21443146 0.83 ALK (0.70) ALKSRPK1SRPK2EML4

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