SCHEMBL3346192

SCHEMBL3346192

Cc1ccccc1C#Cc1ccn2nccc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 11/20 0.47
OGA O60502 1/20 0.37
DYRK1A Q13627 1/20 0.36
TGFBR1 P36897 2/20 0.35
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
GABRA4 P48169 1/20 0.34
GABRE P78334 1/20 0.34
GABRA6 Q16445 1/20 0.34
GABRG1 Q8N1C3 1/20 0.34
GABRG3 Q99928 1/20 0.34
GABRQ Q9UN88 1/20 0.34

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
SCHEMBL3346833 0.82 GRM5 (0.50) GRM5OGADYRK1ATGFBR1KIT
SCHEMBL3347208 0.82 DYRK1A (0.36) GRM5OGADYRK1ATGFBR1TSHR
SCHEMBL3345917 0.82 GRM5 (0.44) GRM5OGADYRK1ATGFBR1SCN5A
SCHEMBL3346819 0.79 SCN5A (0.39) GRM5OGADYRK1ATGFBR1TSHR
SCHEMBL3346766 0.79 GRM5 (0.53) GRM5TGFBR1PDE10A
SCHEMBL3347519 0.78 GRM4 (0.46) GRM5DYRK1A
SCHEMBL3346384 0.78 GRM5 (0.43) GRM5OGADYRK1ATGFBR1PDE10A
SCHEMBL3348828 0.77 TGFBR1 (0.39) GRM5OGADYRK1ATGFBR1SCN5A
SCHEMBL3347027 0.77 GRM5 (0.50) GRM5DYRK1ATGFBR1
SCHEMBL3346984 0.77 DYRK1A (0.41) GRM5DYRK1ATGFBR1SCN5A

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