SCHEMBL5083550

SCHEMBL5083550

c1csc(-c2ccc3ccc(Nc4nccn5c(C6CCC6)ncc45)cc3n2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 6/20 0.40
CYP3A4 P08684 2/20 0.40
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
HSD17B10 Q99714 2/20 0.36
KCNH2 Q12809 2/20 0.34
HRH3 Q9Y5N1 2/20 0.34
TNK2 Q07912 2/20 0.34
PDGFRA P16234 1/20 0.34
FGFR1 P11362 2/20 0.33
CDK4 P11802 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31

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
SCHEMBL5080265 0.88 RAB9A (0.35) IGF1RCYP3A4KDM4EALDH1A1NPC1
SCHEMBL5084929 0.86 IGF1R (0.47) IGF1RCYP3A4KDM4EALDH1A1NPC1
SCHEMBL5083767 0.85 IGF1R (0.46) IGF1RCYP3A4KDM4EALDH1A1NPC1
SCHEMBL5078897 0.78 TNK2 (0.40) IGF1RCYP3A4TNK2
SCHEMBL5079147 0.78 IGF1R (0.48) IGF1RCYP3A4TNK2FGFR1FLT3
SCHEMBL5082157 0.77 IGF1R (0.38) IGF1RCYP3A4NPC1RAB9ATNK2
SCHEMBL4070971 0.76 IGF1R (0.45) IGF1RCYP3A4TNK2FGFR1FLT3
SCHEMBL4070968 0.76 IGF1R (0.45) IGF1RCYP3A4TNK2FGFR1FLT3
SCHEMBL5082928 0.75 IGF1R (0.40) IGF1RCYP3A4TNK2
SCHEMBL5078929 0.75 IGF1R (0.35) IGF1RCYP3A4KCNH2HRH3TNK2

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-2008076143-A1 COMBINATION OF IGFR INHIBITOR AND ANTI-CANCER AGENT OSI PHARMACEUTICALS, INC. (US) 2008-06-26 WO claimed