SCHEMBL20004120

SCHEMBL20004120

CNc1cccc2[nH]c3c(c12)C(=O)c1cc(C)c(OC)cc1C3(C)C

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 16/20 0.45
SRPK2 P78362 3/20 0.35
SRPK1 Q96SB4 3/20 0.35
DYRK3 O43781 1/20 0.34
CLK1 P49759 1/20 0.34
CLK2 P49760 1/20 0.34
DYRK1A Q13627 1/20 0.34
DYRK2 Q92630 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
SRPK3 Q9UPE1 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
EML4 Q9HC35 1/20 0.34
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33

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
SCHEMBL7811110 0.77 ALK (0.58) ALKSRPK2SRPK1
SCHEMBL897126 0.76 ALK (0.72) ALK
SCHEMBL16775670 0.75 ALK (0.66) ALK
SCHEMBL897087 0.73 ALK (0.61) ALKSRPK2SRPK1DYRK3CLK1
SCHEMBL16775671 0.73 ALK (0.78) ALKSRPK2SRPK1EML4
SCHEMBL1755787 0.70 ALK (0.55) ALKSRPK2SRPK1DYRK3CLK1
SCHEMBL21443134 0.69 CA1 (0.37) ALK
SCHEMBL21443130 0.68 ALK (0.74) ALK
SCHEMBL20004681 0.66 ALK (0.72) ALKSRPK2SRPK1EML4
SCHEMBL897421 0.66 ALK (0.69) 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