SCHEMBL20004101

SCHEMBL20004101

COc1cc2c(cc1[S+]([O-])N1CCCC1)C(=O)c1c([nH]c3cc(C#N)ccc13)C2(C)C

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.64
SRPK2 P78362 1/20 0.53
SRPK1 Q96SB4 1/20 0.53
EML4 Q9HC35 1/20 0.53
KDR P35968 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
SCHEMBL20366505 0.89 ALK (0.49) ALK
SCHEMBL17448454 0.88 ALK (0.54) ALKSRPK1
SCHEMBL20366331 0.88 ALK (0.61) ALKSRPK2SRPK1EML4KDR
SCHEMBL20366485 0.86 ALK (0.69) ALKSRPK2SRPK1EML4
SCHEMBL20004602 0.84 ALK (0.72) ALKSRPK2SRPK1EML4KDR
SCHEMBL17448483 0.83 ALK (0.43) ALKSRPK2SRPK1EML4KDR
SCHEMBL897648 0.82 ALK (0.70) ALK
SCHEMBL20004150 0.82 ALK (0.72) ALKSRPK2SRPK1EML4KDR
SCHEMBL21443236 0.82 ALK (0.61) ALKSRPK2SRPK1EML4
SCHEMBL20366507 0.81 ALK (0.72) ALKSRPK2SRPK1EML4

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-3345903-B1 TETRACYCLIC COMPOUNDS CHUGAI PHARMACEUTICAL CO LTD (JP) 2019-10-09 EP disclosed
EP-2975024-B1 TETRACYCLIC COMPOUNDS CHUGAI PHARMACEUTICAL CO LTD (JP) 2018-03-28 EP disclosed