SCHEMBL6826010

SCHEMBL6826010

COc1nc(C(C)(C)C)nc(OC(C)C)c1Br

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33

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
SCHEMBL5321886 0.78 CSNK2A2 (0.35) CSNK2A2CSNK2BCSNK2A1
SCHEMBL6826015 0.75 CCNA2 (0.40)
SCHEMBL6826125 0.72 PDE10A (0.34) CSNK2A2CSNK2BCSNK2A1
SCHEMBL10220295 0.63 GAA (0.44)
SCHEMBL6826635 0.63 PDE10A (0.35) CSNK2A2CSNK2BCSNK2A1
SCHEMBL6333400 0.62 ALDH1A1 (0.41) CSNK2A1
SCHEMBL2725593 0.62 TSHR (0.42) CSNK2A2CSNK2BCSNK2A1
SCHEMBL22148919 0.60
SCHEMBL24344464 0.60 ALDH1A1 (0.33)
SCHEMBL10646592 0.60 ATM (0.46)

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-2004111000-A2 PIPERIDYL DERIVATIVES AND THEIR USE AS TACHYKININ ANTAGONISTS ASTELLAS PHARMA INC. (JP) 2004-12-23 WO disclosed