SCHEMBL6445476

SCHEMBL6445476

Cn1cc(NC(=N)N)c(C(=O)OC(C)(C)C)n1

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.43
IRAK4 Q9NWZ3 18/20 0.41

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
SCHEMBL6441993 0.83 KDM4E (0.47) IRAK4
SCHEMBL6443407 0.78 GAA (0.34) IRAK4
SCHEMBL22857997 0.78 CNR2 (0.53) CNR2IRAK4
SCHEMBL22857998 0.73 IRAK4 (0.45) CNR2IRAK4
SCHEMBL19256695 0.73 CYP2C9 (0.38) CNR2
SCHEMBL31336627 0.73 KMT2A (0.48) CNR2
SCHEMBL19207048 0.72 HTR2A (0.37) CNR2IRAK4
SCHEMBL31336757 0.72 ALDH1A1 (0.45)
SCHEMBL19207086 0.71 GABRA1 (0.35) CNR2IRAK4
SCHEMBL2704966 0.69 KMT2A (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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1556389-A1 CEPHEM COMPOUNDS Astellas Pharma Inc. (JP) 2005-07-27 EP disclosed
WO-2004039814-A1 CEPHEM COMPOUNDS ASTELLAS PHARMA INC. (JP) 2004-05-13 WO disclosed