SCHEMBL28819971

SCHEMBL28819971

CCN(CC)CCOc1cc2c(cc1S(=O)(=O)N1CCN(CC)CC1)C(=O)c1c([nH]c3cc(C#N)ccc13)C2(C)C

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.67
SRPK2 P78362 1/20 0.50
SRPK1 Q96SB4 1/20 0.50
EML4 Q9HC35 1/20 0.50

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
SCHEMBL896952 0.94 ALK (0.68) ALKSRPK2SRPK1EML4
SCHEMBL897383 0.91 ALK (0.72) ALKSRPK2SRPK1EML4
SCHEMBL897532 0.86 ALK (0.74) ALKSRPK2SRPK1EML4
SCHEMBL10272635 0.85 ALK (0.67) ALKSRPK2SRPK1EML4
SCHEMBL20366584 0.84 ALK (0.61) ALKSRPK2SRPK1EML4
SCHEMBL28017466 0.83 ALK (0.62) ALKSRPK2SRPK1EML4
SCHEMBL24676643 0.81 ALK (0.59) ALKSRPK2SRPK1EML4
SCHEMBL21443164 0.81 ALK (0.60) ALKSRPK2SRPK1EML4
SCHEMBL896697 0.81 ALK (1.00) ALK
SCHEMBL898223 0.81 ALK (0.77) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102459172-B Tetracyclic compound CHUGAI PHARMACEUTICAL CO LTD 2015-06-24 CN disclosed