SCHEMBL3346913

SCHEMBL3346913

Cc1cccc(C#Cc2ccc(-c3ccn4nccc4n3)s2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.42
GRM5 P41594 9/20 0.40
TGFBR1 P36897 3/20 0.38
SCN5A Q14524 1/20 0.34
PIK3CD O00329 1/20 0.32
PDGFRB P09619 1/20 0.32
KDR P35968 1/20 0.32
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31
GABRA4 P48169 1/20 0.31
GABRE P78334 1/20 0.31
GABRA6 Q16445 1/20 0.31

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
SCHEMBL3347324 0.86 DYRK1A (0.42) DYRK1AGRM5TGFBR1SCN5A
SCHEMBL3347271 0.86 DYRK1A (0.42) DYRK1AGRM5TGFBR1SCN5A
SCHEMBL3347239 0.86 DYRK1A (0.45) DYRK1AGRM5TGFBR1SCN5APIK3CD
SCHEMBL3346211 0.81 DYRK1A (0.41) DYRK1AGRM5TGFBR1SCN5A
SCHEMBL3348904 0.81 TGFBR1 (0.46) DYRK1AGRM5TGFBR1SCN5A
SCHEMBL3346476 0.79 DYRK1A (0.41) DYRK1AGRM5TGFBR1SCN5A
SCHEMBL3346984 0.79 DYRK1A (0.41) DYRK1AGRM5TGFBR1SCN5APIK3CD
SCHEMBL3346980 0.78 GRM5 (0.49) GRM5PDGFRBKDR
SCHEMBL3346921 0.77 KCNN3 (0.37) GRM5
SCHEMBL3346724 0.77 GRM5 (0.46) DYRK1AGRM5

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 1 patent. 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 disclosed