SCHEMBL3834573

SCHEMBL3834573

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

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.31
PIK3R1 P27986 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 1/20 0.31
AURKA O14965 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
SCHEMBL3835080 0.80 AURKA (0.31) AURKA
SCHEMBL3834979 0.74 KDR (0.34) AURKA
SCHEMBL3836136 0.74 PARP1 (0.31)
SCHEMBL3835834 0.73 PTGS1 (0.35) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL3836996 0.72 AURKA (0.36) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL3835742 0.71 AURKA (0.37) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL3840001 0.69 PARP10 (0.36) AURKA
SCHEMBL3835512 0.69 KDR (0.41) AURKA
SCHEMBL3839946 0.69 AURKA (0.34) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL3839735 0.68

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