SCHEMBL7004752

SCHEMBL7004752

COc1ccc(-c2cccc3c2C(=Cc2[nH]c(C)cc2C(=O)NCCN2CCCC2)C(=O)N3)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 3/20 0.53
KDR P35968 3/20 0.53
FLT3 P36888 2/20 0.53
AURKB Q96GD4 2/20 0.53
MET P08581 1/20 0.53
CHEK1 O14757 6/20 0.49
AURKA O14965 1/20 0.48
LCK P06239 1/20 0.48
KIT P10721 1/20 0.48
KCNH2 Q12809 1/20 0.48
FGFR1 P11362 2/20 0.47
TLK2 Q86UE8 1/20 0.47
KMT2A Q03164 5/20 0.47
RAD52 P43351 2/20 0.46
MITF O75030 2/20 0.46
PIM1 P11309 1/20 0.46
PAX8 Q06710 1/20 0.45
POLB P06746 1/20 0.43
HTR3A P46098 1/20 0.41
GSK3A P49840 1/20 0.41

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
SCHEMBL7095986 0.91 CHEK1 (0.50) PDGFRBKDRFLT3AURKBMET
SCHEMBL6324172 0.87 SMYD2 (0.47) PDGFRBKDRCHEK1FGFR1TLK2
SCHEMBL6326926 0.86 PDGFRB (0.49) PDGFRBKDRFLT3AURKBCHEK1
SCHEMBL7094511 0.83 CHEK1 (0.44) PDGFRBKDRCHEK1KITFGFR1
SCHEMBL6402187 0.81 KDR (0.63) PDGFRBKDRFLT3AURKBMET
SCHEMBL6402191 0.81 KDR (0.63) PDGFRBKDRFLT3AURKBMET
SCHEMBL6320448 0.81 RET (0.48) PDGFRBKDRFLT3AURKBCHEK1
SCHEMBL6320444 0.81 RET (0.48) PDGFRBKDRFLT3AURKBCHEK1
SCHEMBL7094064 0.78 DGAT2 (0.43) PDGFRBKDRCHEK1FGFR1
SCHEMBL7094200 0.77 ALK (0.39) PDGFRBKDRFLT3AURKBCHEK1

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-1349852-A2 4-(HETERO)ARYL SUBSTITUTED INDOLINONES Sugen, Inc. (US) 2003-10-08 EP disclosed
WO-2002055517-A2 4-(HETERO)ARYL SUBSTITUTED INDOLINONES CUI JINGRONG (US) 2002-07-18 WO disclosed