SCHEMBL3347669

SCHEMBL3347669

Cc1ccccc1C#CCCc1ccn2nccc2n1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.35
GRM5 P41594 3/20 0.34
DYRK1A Q13627 1/20 0.32
MET P08581 1/20 0.32
TGFBR1 P36897 2/20 0.32
OGA O60502 1/20 0.31
PCSK9 Q8NBP7 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
SCHEMBL3351121 0.85 GRM5 (0.34) PDE10AGRM5DYRK1AMET
SCHEMBL3346239 0.85 GRM5 (0.39) PDE10AGRM5DYRK1AMETTGFBR1
SCHEMBL3351706 0.83 KDM4E (0.34) PDE10AGRM5
SCHEMBL3347219 0.82 GRM5 (0.37) PDE10AGRM5DYRK1AMET
SCHEMBL3347052 0.80 CYP2A6 (0.37) PDE10AGRM5DYRK1AMETTGFBR1
SCHEMBL3346732 0.79 DYRK1A (0.36) PDE10AGRM5DYRK1AMETTGFBR1
SCHEMBL3351211 0.79 GRM5 (0.56) PDE10AGRM5DYRK1AMETTGFBR1
SCHEMBL3346840 0.78 GRM5 (0.36) PDE10AGRM5DYRK1AMETTGFBR1
SCHEMBL3352981 0.77 GRM5 (0.41) PDE10AGRM5
SCHEMBL3346516 0.77 ALOX5 (0.37) GRM5DYRK1ATGFBR1OGAPCSK9

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