SCHEMBL20004106

SCHEMBL20004106

CCc1cc(C2CCN(C(C)C)CC2)ccc1C(=O)c1c(CC)[nH]c2cc(C#N)ccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 13/20 0.51
FASN P49327 6/20 0.40
KDR P35968 4/20 0.39
IGF1R P08069 2/20 0.37
SRC P12931 2/20 0.37
ABL1 P00519 1/20 0.37
INSR P06213 1/20 0.37
MET P08581 1/20 0.37
FGFR2 P21802 1/20 0.37
EGFR P00533 1/20 0.37
RET P07949 1/20 0.37
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
FLT1 P17948 1/20 0.37
LTK P29376 1/20 0.37
AXL P30530 1/20 0.37
FLT3 P36888 1/20 0.37
MST1R Q04912 1/20 0.37
TYRO3 Q06418 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL21443123 0.75 ALK (0.37) ALKKDR
SCHEMBL21443119 0.73 ALK (0.55) ALKKDREGFRRETKCNH2
SCHEMBL20004742 0.72 ALK (0.42) ALKKDREGFRRET
SCHEMBL28588337 0.69 PIN1 (0.45) ALK
SCHEMBL1755964 0.69 ALK (0.47) ALKFASNKCNH2
SCHEMBL17048116 0.68 ALK (0.41) ALK
SCHEMBL24676285 0.68 ALK (0.42) ALKFASN
SCHEMBL896837 0.68 ALK (1.00) ALKKDRIGF1RSRCABL1
SCHEMBL897061 0.68 ALK (0.87) ALKKDRIGF1RSRCABL1
SCHEMBL20004875 0.68 GSK3B (0.35) 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