SCHEMBL6883405

SCHEMBL6883405

CN1CCN(C2CCC(n3cc(-c4ccc(NS(=O)(=O)c5cc(F)ccc5F)c(F)c4)c4c(N)ncnc43)CC2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEK Q02763 2/20 0.65
EGFR P00533 2/20 0.57
ERBB2 P04626 2/20 0.57
ERBB4 Q15303 2/20 0.57
IGF1R P08069 1/20 0.57
ERBB3 P21860 1/20 0.57
EIF2AK3 Q9NZJ5 4/20 0.54
PLK4 O00444 1/20 0.53
DCLK1 O15075 1/20 0.53
PDPK1 O15530 1/20 0.53
PRKD3 O94806 1/20 0.53
MAP4K4 O95819 1/20 0.53
PAK4 O96013 1/20 0.53
CHEK2 O96017 1/20 0.53
ABL1 P00519 1/20 0.53
NTRK1 P04629 1/20 0.53
INSR P06213 1/20 0.53
LCK P06239 1/20 0.53
FYN P06241 1/20 0.53
CSF1R P07333 1/20 0.53

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
SCHEMBL6460446 0.92 TEK (0.62) TEKEGFRERBB2ERBB4IGF1R
SCHEMBL6462812 0.92 TEK (0.70) TEKEGFRERBB2ERBB4IGF1R
SCHEMBL6459268 0.91 TEK (0.65) TEKEGFRERBB2ERBB4IGF1R
SCHEMBL6459716 0.91 TEK (0.73) TEKEGFRERBB2ERBB4IGF1R
SCHEMBL6465140 0.91 TEK (0.73) TEKEGFRERBB2ERBB4IGF1R
SCHEMBL6459712 0.91 TEK (0.73) TEKEGFRERBB2ERBB4IGF1R
SCHEMBL6465164 0.90 TEK (0.63) TEKEGFRERBB2ERBB4IGF1R
SCHEMBL2072187 0.89 RIPK2 (0.54) TEKEGFRIGF1REIF2AK3ABL1
SCHEMBL6458902 0.89 TEK (0.62) TEKEGFRERBB2ERBB4IGF1R
SCHEMBL12856461 0.89 TEK (0.62) 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
WO-2004100868-A2 METHOD OF TREATING TRANSPLANT REJECTION ABBOTT LABORATORIES (US) 2004-11-25 WO disclosed
WO-2001072751-A1 PYRROLOPYRIMIDINES AS TYROSINE KINASE INHIBITORS KNOLL GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2001-10-04 WO disclosed