SCHEMBL12856461

SCHEMBL12856461

CN1CCN(C2CCC(n3cc(-c4ccc(NS(=O)(=O)c5ccc(Cl)cc5Cl)c(F)c4)c4c(N)ncnc43)CC2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEK Q02763 2/20 0.62
EGFR P00533 3/20 0.55
ERBB2 P04626 3/20 0.55
ERBB4 Q15303 3/20 0.55
IGF1R P08069 2/20 0.55
ERBB3 P21860 2/20 0.55
EIF2AK3 Q9NZJ5 6/20 0.54
PLK4 O00444 1/20 0.51
DCLK1 O15075 1/20 0.51
PDPK1 O15530 1/20 0.51
PRKD3 O94806 1/20 0.51
MAP4K4 O95819 1/20 0.51
PAK4 O96013 1/20 0.51
CHEK2 O96017 1/20 0.51
ABL1 P00519 1/20 0.51
NTRK1 P04629 1/20 0.51
INSR P06213 1/20 0.51
LCK P06239 1/20 0.51
FYN P06241 1/20 0.51
CSF1R P07333 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
SCHEMBL6458902 1.00 TEK (0.62) TEKEGFRERBB2ERBB4IGF1R
SCHEMBL6460446 0.94 TEK (0.62) TEKEGFRERBB2ERBB4IGF1R
SCHEMBL6460184 0.92 TEK (0.67) TEKEGFRERBB2ERBB4IGF1R
SCHEMBL6463702 0.92 TEK (0.62) TEKEGFRERBB2ERBB4IGF1R
SCHEMBL6460329 0.91 TEK (0.64) TEKEGFRERBB2ERBB4IGF1R
SCHEMBL6459192 0.91 TEK (0.59) TEKEGFRERBB2ERBB4IGF1R
SCHEMBL6459268 0.91 TEK (0.65) TEKEGFRERBB2ERBB4IGF1R
SCHEMBL2071744 0.90 RIPK2 (0.51) EGFRIGF1REIF2AK3ABL1NTRK1
SCHEMBL6461797 0.90 TEK (0.64) TEKEGFRERBB2ERBB4IGF1R
SCHEMBL30527006 0.90 TEK (0.64) TEKEGFRERBB2ERBB4IGF1R

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1364212-B1 THREE HYBRID ASSAY SYSTEM GPC BIOTECH AG (DE) 2011-02-02 EP disclosed
EP-1975620-A2 Three hybrid assay system GPC Biotech AG (DE) 2008-10-01 EP disclosed