SCHEMBL7006025

SCHEMBL7006025

COc1ccc(-c2cccc3c2C(=Cc2[nH]c(C)c(C(=O)NCCn4ccnn4)c2C)C(=O)N3)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.52
KDR P35968 11/20 0.51
PDGFRB P09619 9/20 0.50
FLT3 P36888 6/20 0.50
AURKB Q96GD4 4/20 0.50
MET P08581 2/20 0.50
EGFR P00533 1/20 0.50
PDGFRA P16234 1/20 0.50
FGFR1 P11362 6/20 0.49
PRKAA2 P54646 5/20 0.49
PRKAA1 Q13131 5/20 0.49
TLK2 Q86UE8 2/20 0.45
AURKA O14965 2/20 0.44
KIT P10721 2/20 0.44
LCK P06239 1/20 0.44
KCNH2 Q12809 1/20 0.44
AURKC Q9UQB9 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43

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
SCHEMBL6431034 0.84 KDR (0.72) LRRK2KDRPDGFRBFLT3AURKB
SCHEMBL6324202 0.80 FLT3 (0.60) LRRK2KDRPDGFRBFLT3AURKB
SCHEMBL6324208 0.80 FLT3 (0.60) LRRK2KDRPDGFRBFLT3AURKB
SCHEMBL7094064 0.80 DGAT2 (0.43) KDRPDGFRBEGFRPDGFRAFGFR1
SCHEMBL7094200 0.79 ALK (0.39) KDRPDGFRBFLT3AURKBEGFR
SCHEMBL7010602 0.79 KDR (0.43) LRRK2KDRPDGFRBFLT3AURKB
SCHEMBL6402187 0.79 KDR (0.63) LRRK2KDRPDGFRBFLT3AURKB
SCHEMBL6402191 0.79 KDR (0.63) LRRK2KDRPDGFRBFLT3AURKB
SCHEMBL6321383 0.77 FLT3 (0.55) LRRK2KDRPDGFRBFLT3AURKB
SCHEMBL6321388 0.77 FLT3 (0.55) LRRK2KDRPDGFRBFLT3AURKB

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