SCHEMBL8325968

SCHEMBL8325968

CC(C)(C)OC(=O)N1CCOc2ccc(CCI)nc21

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.36
CSNK2A2 P19784 1/20 0.36
EGFR P00533 1/20 0.36
BTK Q06187 1/20 0.36
USP30 Q70CQ3 2/20 0.36
GRM5 P41594 3/20 0.35
FGFR4 P22455 2/20 0.35
NOTUM Q6P988 1/20 0.34
GPR119 Q8TDV5 2/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
SCD5 Q86SK9 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
USP2 O75604 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PDE3B Q13370 1/20 0.31
PDE3A Q14432 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
SCHEMBL6265815 0.94 KEAP1 (0.34) CSNK2A1CSNK2A2EGFRBTKUSP30
SCHEMBL4207156 0.90 CSNK2A1 (0.38) CSNK2A1CSNK2A2EGFRBTKUSP30
SCHEMBL853328 0.88 CSNK2A1 (0.36) CSNK2A1CSNK2A2EGFRBTKUSP30
SCHEMBL23530252 0.87 CSNK2A1 (0.37) CSNK2A1CSNK2A2EGFRBTKUSP30
SCHEMBL30918942 0.86 CSNK2A1 (0.37) CSNK2A1CSNK2A2EGFRBTKUSP30
SCHEMBL6322357 0.85 CSNK2A1 (0.38) CSNK2A1CSNK2A2EGFRBTKUSP30
SCHEMBL4253521 0.83 EGFR (0.40) CSNK2A1CSNK2A2EGFRBTKUSP30
SCHEMBL6266493 0.83 CSNK2A1 (0.35) CSNK2A1CSNK2A2EGFRBTKUSP30
SCHEMBL8334943 0.83 USP2 (0.36) CSNK2A1CSNK2A2USP2SMN1; SMN2
SCHEMBL8326067 0.82 MAPT (0.42) CSNK2A1CSNK2A2EGFRBTKUSP30

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
WO-2004058254-A1 HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS PHARMACIA CORPORATION (US) 2004-07-15 WO disclosed