SCHEMBL1755822

SCHEMBL1755822

CC(C)OC1CC2=C(C=C1C1=CCN(C3COC3)CC1)C(=O)c1c([nH]c3cc(C#N)ccc13)C2(C)C

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.54
KDR P35968 5/20 0.51
KIT P10721 3/20 0.49
INSR P06213 2/20 0.49
ABL1 P00519 1/20 0.49
IGF1R P08069 1/20 0.49
MET P08581 1/20 0.49
SRC P12931 1/20 0.49
FGFR2 P21802 1/20 0.49

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
SCHEMBL897184 0.80 ALK (0.63) ALKKDRKITINSRABL1
SCHEMBL898048 0.77 ALK (0.86) ALKKDRKITINSRABL1
SCHEMBL897391 0.77 ALK (0.66) ALKKDRKITINSRABL1
SCHEMBL1755886 0.71 ALK (0.46) ALKKDR
SCHEMBL20004689 0.70 ALK (0.54) ALKKDRKITINSRABL1
SCHEMBL897400 0.70 ALK (1.00) ALKKDRKIT
SCHEMBL20366678 0.70 ALK (0.55) ALKKDRINSR
SCHEMBL1755772 0.69 ALK (0.52) ALKKDR
SCHEMBL7806330 0.69 ALK (0.49) ALKKDRKITINSRABL1
SCHEMBL21613407 0.69 ALK (0.60) ALKKDRKITINSRABL1

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