SCHEMBL3346239

SCHEMBL3346239

Fc1ccccc1C#CCCc1ccn2nccc2n1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.39
TGFBR1 P36897 1/20 0.32
DYRK1A Q13627 1/20 0.32
SCN5A Q14524 1/20 0.32
HCAR2 Q8TDS4 1/20 0.31
PDE10A Q9Y233 1/20 0.31
MET P08581 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) GRM5DYRK1AHCAR2PDE10AMET
SCHEMBL3347669 0.85 PDE10A (0.35) GRM5TGFBR1DYRK1APDE10AMET
SCHEMBL3347219 0.82 GRM5 (0.37) GRM5DYRK1ASCN5APDE10AMET
SCHEMBL3347585 0.81 GRM5 (0.34) GRM5PDE10A
SCHEMBL3351211 0.79 GRM5 (0.56) GRM5TGFBR1DYRK1APDE10AMET
SCHEMBL3348887 0.78 GRM5 (0.38) GRM5DYRK1A
SCHEMBL3345871 0.77 CHRM2 (0.35) GRM5TGFBR1DYRK1ASCN5A
SCHEMBL3346732 0.76 DYRK1A (0.36) GRM5TGFBR1DYRK1ASCN5APDE10A
SCHEMBL3345917 0.76 GRM5 (0.44) GRM5TGFBR1DYRK1ASCN5A
SCHEMBL3347176 0.76 GRM5 (0.40) GRM5DYRK1ASCN5APDE10A

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