SCHEMBL1703003

SCHEMBL1703003

CC1(C)c2ccc(C3CCNC(C4CC4)C3)cc2C(=O)c2c1[nH]c1cc(C#N)ccc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.67
KDR P35968 4/20 0.67
IGF1R P08069 2/20 0.55
SRC P12931 2/20 0.55
ABL1 P00519 1/20 0.55
INSR P06213 1/20 0.55
MET P08581 1/20 0.55
FGFR2 P21802 1/20 0.55
EGFR P00533 1/20 0.52
RET P07949 1/20 0.52
PDGFRB P09619 1/20 0.52
PDGFRA P16234 1/20 0.52
FLT1 P17948 1/20 0.52
LTK P29376 1/20 0.52
AXL P30530 1/20 0.52
FLT3 P36888 1/20 0.52
MST1R Q04912 1/20 0.52
TYRO3 Q06418 1/20 0.52
KCNH2 Q12809 1/20 0.52
ERBB4 Q15303 1/20 0.52

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
SCHEMBL897889 0.86 ALK (0.78) ALKKDRIGF1RSRCABL1
SCHEMBL21443170 0.82 ALK (0.83) ALKKDRIGF1RSRCABL1
SCHEMBL897729 0.80 ALK (1.00) ALKKDRIGF1RSRCABL1
SCHEMBL897061 0.80 ALK (0.87) ALKKDRIGF1RSRCABL1
SCHEMBL896922 0.79 ALK (0.77) ALKKDRIGF1RSRCABL1
SCHEMBL31507375 0.78 ALK (0.70) ALKKDR
SCHEMBL20366576 0.78 ALK (0.70) ALKKDR
SCHEMBL897444 0.78 ALK (1.00) ALKKDRIGF1RSRCABL1
SCHEMBL897781 0.76 ALK (0.71) ALKKDR
SCHEMBL897726 0.76 ALK (0.71) ALKKDR

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-2441753-A1 TETRACYCLIC COMPOUND Chugai Seiyaku Kabushiki Kaisha (JP) 2012-04-18 EP disclosed