SCHEMBL6093136

SCHEMBL6093136

Cc1[nH]c(C=C2C(=O)NN=C2c2ccco2)c(C)c1C(=O)OCCN(C)C

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 4/20 0.45
FGFR1 P11362 3/20 0.45
ABL1 P00519 1/20 0.45
RET P07949 1/20 0.45
FLT3 P36888 1/20 0.45
ALK Q9UM73 1/20 0.45
ADORA2B P29275 1/20 0.43
KDR P35968 7/20 0.38
CHEK1 O14757 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PRKAA2 P54646 4/20 0.36
PRKAA1 Q13131 4/20 0.36
EGFR P00533 1/20 0.35
PDGFRA P16234 1/20 0.35
CSF1R P07333 1/20 0.34
ALDH1A1 P00352 2/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL6093126 1.00 PDGFRB (0.45) PDGFRBFGFR1ABL1RETFLT3
SCHEMBL6089736 0.84 KDR (0.55) PDGFRBFGFR1ABL1RETFLT3
SCHEMBL6089730 0.84 KDR (0.55) PDGFRBFGFR1ABL1RETFLT3
SCHEMBL6089154 0.83 PDGFRB (0.45) PDGFRBFGFR1ABL1RETFLT3
SCHEMBL6089149 0.83 PDGFRB (0.45) PDGFRBFGFR1ABL1RETFLT3
SCHEMBL6089745 0.81 KDR (0.59) PDGFRBFGFR1ABL1RETFLT3
SCHEMBL6090880 0.81 PDGFRB (0.42) PDGFRBFGFR1ABL1RETFLT3
SCHEMBL6090865 0.81 PDGFRB (0.42) PDGFRBFGFR1ABL1RETFLT3
SCHEMBL6091254 0.80 KDR (0.46) PDGFRBFGFR1RETFLT3ALK
SCHEMBL6091261 0.80 KDR (0.46) PDGFRBFGFR1RETFLT3ALK

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-7060822-B1 2-pyrazolin-5-ones ABBOTT GMBH & CO. KG (DE) 2006-06-13 US disclosed