SCHEMBL3347271

SCHEMBL3347271

Fc1cccc(C#Cc2ccc(-c3ccn4nccc4n3)s2)c1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.42
GRM5 P41594 13/20 0.38
SCN5A Q14524 1/20 0.36
IKBKB O14920 1/20 0.35
TGFBR1 P36897 3/20 0.34
SLC6A2 P23975 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
SCHEMBL3346913 0.86 DYRK1A (0.42) DYRK1AGRM5SCN5ATGFBR1
SCHEMBL3347324 0.86 DYRK1A (0.42) DYRK1AGRM5SCN5ATGFBR1
SCHEMBL3347239 0.86 DYRK1A (0.45) DYRK1AGRM5SCN5ATGFBR1
SCHEMBL3346211 0.81 DYRK1A (0.41) DYRK1AGRM5SCN5ATGFBR1
SCHEMBL3346476 0.79 DYRK1A (0.41) DYRK1AGRM5SCN5AIKBKBTGFBR1
SCHEMBL3346973 0.79 DYRK1A (0.41) DYRK1AGRM5SCN5AIKBKBTGFBR1
SCHEMBL3347295 0.78 GRM5 (0.48) DYRK1AGRM5SLC6A2
SCHEMBL3348921 0.77 IKBKB (0.39) GRM5IKBKB
SCHEMBL3347287 0.77 DYRK1A (0.44) DYRK1AGRM5SCN5ATGFBR1
SCHEMBL3345910 0.77 GRM5 (0.35) GRM5IKBKB

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