SCHEMBL6402187

SCHEMBL6402187

COc1cccc(-c2cccc3c2/C(=C/c2[nH]c(C)c(C(=O)NCCN4CCCC4)c2C)C(=O)N3)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.63
PDGFRB P09619 9/20 0.63
FLT3 P36888 3/20 0.63
AURKB Q96GD4 3/20 0.63
MET P08581 1/20 0.63
FGFR1 P11362 7/20 0.61
TLK2 Q86UE8 2/20 0.61
AURKA O14965 1/20 0.59
LCK P06239 1/20 0.59
KIT P10721 1/20 0.59
KCNH2 Q12809 1/20 0.59
LRRK2 Q5S007 1/20 0.54
EGFR P00533 2/20 0.51
PDGFRA P16234 1/20 0.51
PRKAA2 P54646 5/20 0.49
PRKAA1 Q13131 5/20 0.49
KMT2A Q03164 2/20 0.48
MITF O75030 1/20 0.48
RAD52 P43351 1/20 0.48
PAX8 Q06710 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
SCHEMBL6402191 1.00 KDR (0.63) KDRPDGFRBFLT3AURKBMET
SCHEMBL6884531 0.90 PDGFRB (0.63) KDRPDGFRBFLT3AURKBMET
SCHEMBL6884535 0.90 PDGFRB (0.63) KDRPDGFRBFLT3AURKBMET
SCHEMBL6404789 0.90 PDGFRB (0.63) KDRPDGFRBFLT3AURKBMET
SCHEMBL6404793 0.90 PDGFRB (0.63) KDRPDGFRBFLT3AURKBMET
SCHEMBL7011789 0.86 KDR (0.73) KDRPDGFRBFLT3AURKBMET
SCHEMBL7009163 0.85 KDR (0.59) KDRPDGFRBFLT3AURKBMET
SCHEMBL6319847 0.82 KDR (0.56) KDRPDGFRBFLT3AURKBMET
SCHEMBL6319851 0.82 KDR (0.56) KDRPDGFRBFLT3AURKBMET
SCHEMBL13755251 0.82 KDR (0.78) KDRPDGFRBFLT3AURKBMET

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
US-6861418-B2 4-aryl substituted indolinones SUGEN, INC. (US) 2005-03-01 US disclosed