SCHEMBL7800511

SCHEMBL7800511

CC1(C)c2cc(N3CCN(C4COC4)CC3)c(N)cc2C(=O)c2c1[nH]c1cc(C=N)ccc21

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.62
KDR P35968 5/20 0.62
KIT P10721 3/20 0.62
INSR P06213 2/20 0.60
ABL1 P00519 1/20 0.51
IGF1R P08069 1/20 0.51
MET P08581 1/20 0.51
SRC P12931 1/20 0.51
FGFR2 P21802 1/20 0.51

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
SCHEMBL7807812 0.89 ALK (0.64) ALKKDRKITINSRABL1
SCHEMBL7805824 0.89 ALK (0.75) ALKKDRKITINSRABL1
SCHEMBL7816141 0.86 ALK (0.66) ALKKDRKITINSR
SCHEMBL7809601 0.85 ALK (0.79) ALKKDRKITINSR
SCHEMBL7806453 0.85 ALK (0.67) ALKKDRKITINSR
SCHEMBL7805826 0.84 ALK (0.74) ALKKDRKITINSR
SCHEMBL7816380 0.84 ALK (0.68) ALKKDRKITINSR
SCHEMBL7807873 0.84 ALK (0.65) ALKKDRKITINSR
SCHEMBL7812981 0.84 ALK (0.69) ALKKDRKITINSR
SCHEMBL7806236 0.83 ALK (0.63) ALKKDRKITINSR

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