SCHEMBL3348848

SCHEMBL3348848

CC(C)(C)OC(=O)N1CC=C(C#Cc2ccn3nccc3n2)CC1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 13/20 0.66
GRM1 Q13255 9/20 0.41
PDK4 Q16654 1/20 0.40
PCSK9 Q8NBP7 1/20 0.39
OGA O60502 1/20 0.38
TNK2 Q07912 1/20 0.38
NAMPT P43490 1/20 0.38
JAK1 P23458 1/20 0.37

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
SCHEMBL3345905 0.82 GRM5 (0.68) GRM5OGA
SCHEMBL3348318 0.80 GRM5 (0.43) GRM5PCSK9OGA
SCHEMBL16553430 0.80 GRM1 (0.54) GRM5GRM1PDK4TNK2NAMPT
SCHEMBL9903364 0.80 GRM5 (0.62) GRM5GRM1PDK4
SCHEMBL3348323 0.79 GRM5 (0.42) GRM5PCSK9OGANAMPTJAK1
SCHEMBL19989696 0.77 GRM5 (0.69) GRM5GRM1PDK4NAMPT
SCHEMBL14995149 0.75 GRM5 (0.70) GRM5GRM1PDK4NAMPT
SCHEMBL3348910 0.75 GRM5 (0.66) GRM5GRM1PDK4NAMPTJAK1
SCHEMBL2893138 0.73 GRM5 (0.63) GRM5GRM1PDK4NAMPTJAK1
SCHEMBL8139008 0.72 GRM5 (0.62) GRM5GRM1PDK4NAMPT

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
WO-2010063487-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2010-06-10 WO claimed
WO-2010063487-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2010-06-10 WO disclosed