SCHEMBL6324172

SCHEMBL6324172

Cc1cc(C(=O)NCCCN2CCCC2)c(/C=C2\C(=O)Nc3cccc(-c4ccccc4)c32)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 5/20 0.47
CHEK1 O14757 3/20 0.47
PIM1 P11309 1/20 0.47
PDGFRB P09619 2/20 0.45
FGFR1 P11362 2/20 0.45
KDR P35968 2/20 0.45
TLK2 Q86UE8 1/20 0.45
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
SLC6A4 P31645 2/20 0.42
FLT1 P17948 1/20 0.42
ALK Q9UM73 1/20 0.41
KMT2A Q03164 2/20 0.41
RAD52 P43351 2/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 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
SCHEMBL7094511 0.92 CHEK1 (0.44) SMYD2CHEK1PIM1PDGFRBFGFR1
SCHEMBL7095986 0.88 CHEK1 (0.50) CHEK1PIM1PDGFRBFGFR1KDR
SCHEMBL7004752 0.87 PDGFRB (0.53) CHEK1PIM1PDGFRBFGFR1KDR
SCHEMBL6326926 0.84 PDGFRB (0.49) CHEK1PIM1PDGFRBFGFR1KDR
SCHEMBL6328657 0.81 PDGFRB (0.46) SMYD2CHEK1PIM1PDGFRBFGFR1
SCHEMBL6321139 0.79 ALK (0.53) CHEK1PDGFRBFGFR1KDRTLK2
SCHEMBL143687 0.79 SRC (0.49) PDGFRBFGFR1KDRTLK2ALK
SCHEMBL6321236 0.76 PDGFRB (0.51) CHEK1PIM1PDGFRBFGFR1KDR
SCHEMBL6323517 0.76 L3MBTL3 (0.47) SMYD2PDGFRBFGFR1KDRFLT1
SCHEMBL6322548 0.76 KDR (0.46) PDGFRBFGFR1KDRFLT1ALK

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