SCHEMBL3835834

SCHEMBL3835834

COC(=O)C(C)c1cc(I)c2c(c1)CNC2=O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
KDR P35968 1/20 0.34
MT-CO2 P00403 1/20 0.33
SLC6A3 Q01959 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3R1 P27986 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
AURKA O14965 1/20 0.31
HPGD P15428 1/20 0.30
PARP1 P09874 1/20 0.30
HSP90AB1 P08238 1/20 0.30

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
SCHEMBL3834573 0.73 PIK3CD (0.31) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL3835796 0.71 MAP3K9 (0.38) KDRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3835742 0.69 AURKA (0.37) KDRPIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL3840001 0.67 PARP10 (0.36) KDRAURKAPARP1
SCHEMBL3835512 0.67 KDR (0.41) KDRAURKAPARP1
SCHEMBL3839735 0.66
SCHEMBL31158957 0.66 GRM5 (0.37) KDRPIK3CDPIK3CAPIK3CBAURKA
SCHEMBL3836901 0.66 GRM5 (0.37) KDRPIK3CDPIK3CAPIK3CBAURKA
SCHEMBL3836782 0.65 AURKA (0.31) KDRAURKA
SCHEMBL3834548 0.64 NAMPT (0.39) PARP1

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