SCHEMBL7809128

SCHEMBL7809128

COc1cc2c(cc1C1=CCN(C3COC3)CC1)C(=O)c1c([nH]c3cc(N)ccc13)C2(C)C

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.51
KDR P35968 5/20 0.49
KIT P10721 3/20 0.49
INSR P06213 2/20 0.48
ABL1 P00519 1/20 0.48
IGF1R P08069 1/20 0.48
MET P08581 1/20 0.48
SRC P12931 1/20 0.48
FGFR2 P21802 1/20 0.48

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
SCHEMBL7806330 0.92 ALK (0.49) ALKKDRKITINSRABL1
SCHEMBL897391 0.89 ALK (0.66) ALKKDRKITINSRABL1
SCHEMBL1755990 0.89 ALK (0.55) ALKKDR
SCHEMBL7820167 0.86 ALK (0.68) ALKKDRKITINSRABL1
SCHEMBL897184 0.81 ALK (0.63) ALKKDRKITINSRABL1
SCHEMBL7815079 0.80 ALK (0.51) ALK
SCHEMBL7801032 0.79 ALK (0.57) ALKKDRINSR
SCHEMBL1755883 0.79 ALK (0.56) ALK
SCHEMBL7820105 0.79 ALK (0.79) ALKKDR
SCHEMBL898084 0.79 ALK (0.70) 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
WO-2010143664-A1 TETRACYCLIC COMPOUND 中外製薬株式会社 (JP) 2010-12-16 WO disclosed