SCHEMBL20004205

SCHEMBL20004205

CCN(CC)CCS(=O)(=O)c1ccc2c(c1)C(C)(C)c1[nH]c3cc(/C=N\C)ccc3c1C2=O

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 19/20 0.56
SRPK1 Q96SB4 2/20 0.40
DYRK3 O43781 1/20 0.40
CLK1 P49759 1/20 0.40
CLK2 P49760 1/20 0.40
SRPK2 P78362 1/20 0.40
DYRK1A Q13627 1/20 0.40
DYRK2 Q92630 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
SRPK3 Q9UPE1 1/20 0.40
DYRK1B Q9Y463 1/20 0.40

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
SCHEMBL24676362 0.90 ALK (0.70) ALKSRPK1DYRK3CLK1CLK2
SCHEMBL24676156 0.85 ALK (0.57) ALKSRPK1DYRK3CLK1CLK2
SCHEMBL24676746 0.85 ALK (0.70) ALK
SCHEMBL7808251 0.85 ALK (0.60) ALKSRPK1DYRK3CLK1CLK2
SCHEMBL24676157 0.83 ALK (0.52) ALK
SCHEMBL897589 0.82 ALK (0.81) ALKSRPK1DYRK3CLK1CLK2
SCHEMBL24676154 0.81 ALK (0.49) ALK
SCHEMBL20004476 0.76 ALK (0.72) ALK
SCHEMBL21443162 0.74 ALK (0.51) ALK
SCHEMBL24676634 0.74 ALK (0.59) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2975024-B1 TETRACYCLIC COMPOUNDS CHUGAI PHARMACEUTICAL CO LTD (JP) 2018-03-28 EP disclosed