SCHEMBL3837161

SCHEMBL3837161

CC(C)OCc1cc(I)c2c(c1)CNC2=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.39
JAK3 P52333 3/20 0.38
MAP3K9 P80192 1/20 0.36
DLK1 P80370 1/20 0.36
MAP3K10 Q02779 1/20 0.36
MAP3K11 Q16584 1/20 0.36
PDGFRB P09619 1/20 0.35
KIT P10721 1/20 0.35
FGFR1 P11362 1/20 0.35
FLT1 P17948 1/20 0.35
FLT4 P35916 1/20 0.35
FLT3 P36888 1/20 0.35
MAPK8 P45983 1/20 0.35
TEK Q02763 1/20 0.31

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
SCHEMBL3839331 0.84 KDR (0.32) KDR
SCHEMBL3837174 0.82 KDR (0.34) KDR
SCHEMBL3837163 0.80 KDR (0.35) KDR
SCHEMBL3836956 0.78 SLC2A1 (0.35)
SCHEMBL3836776 0.76 AURKA (0.34) KDRJAK3
SCHEMBL3835796 0.75 MAP3K9 (0.38) KDRMAP3K9MAP3K10MAP3K11FLT4
SCHEMBL3835406 0.75 PARP1 (0.45) JAK3
SCHEMBL3839251 0.73 PARP1 (0.33)
SCHEMBL3839267 0.72 PIK3CD (0.32)
SCHEMBL3834979 0.71 KDR (0.34) KDR

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
EP-2108642-A1 JAK INHIBITOR Kyowa Hakko Kirin Co., Ltd. (JP) 2009-10-14 EP disclosed