SCHEMBL5987772

SCHEMBL5987772

CCOC(=O)c1[nH]c(C=C2C(=O)Nc3cnccc32)c(C(C)=O)c1C

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 3/20 0.52
FGFR1 P11362 2/20 0.52
ABL1 P00519 1/20 0.52
RET P07949 1/20 0.52
FLT3 P36888 1/20 0.52
ALK Q9UM73 1/20 0.52
KDR P35968 2/20 0.47
GSK3B P49841 1/20 0.44
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
CSF1R P07333 1/20 0.40
KDM5A P29375 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
XBP1 P17861 1/20 0.38
GAA P10253 1/20 0.37
AURKA O14965 1/20 0.37
HPGD P15428 1/20 0.37
TLK2 Q86UE8 1/20 0.37

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
SCHEMBL5990630 0.92 PDGFRB (0.52) PDGFRBFGFR1ABL1RETFLT3
SCHEMBL5990240 0.91 PDGFRB (0.51) PDGFRBFGFR1ABL1RETFLT3
SCHEMBL5380602 0.86 PDGFRB (0.69) PDGFRBFGFR1ABL1RETFLT3
SCHEMBL5999741 0.86 PDGFRB (0.69) PDGFRBFGFR1ABL1RETFLT3
SCHEMBL5988621 0.84 KDR (0.52) PDGFRBFGFR1ABL1RETFLT3
SCHEMBL6389339 0.83 PDGFRB (0.74) PDGFRBFGFR1ABL1RETFLT3
SCHEMBL6391776 0.81 RET (0.49) PDGFRBFGFR1ABL1RETFLT3
SCHEMBL5991104 0.80 ABL1 (0.46) PDGFRBFGFR1ABL1RETFLT3
SCHEMBL5987815 0.79 ABL1 (0.41) PDGFRBFGFR1ABL1RETFLT3
SCHEMBL5988465 0.79 ABL1 (0.45) PDGFRBFGFR1ABL1RETFLT3

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
US-6849641-B1 Azaindole tyrosine kinase inhibitors SUGEN, INC. (US) 2005-02-01 US claimed
US-6987113-B2 Tyrosine kinase inhibitors SUGEN, INC. (US) 2006-01-17 US disclosed