SCHEMBL3347324

SCHEMBL3347324

Clc1cccc(C#Cc2ccc(-c3ccn4nccc4n3)s2)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.42
GRM5 P41594 10/20 0.38
KCNH2 Q12809 1/20 0.34
TGFBR1 P36897 3/20 0.34
SCN5A Q14524 1/20 0.34
ADORA3 P0DMS8 2/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL3347271 0.86 DYRK1A (0.42) DYRK1AGRM5TGFBR1SCN5A
SCHEMBL3346913 0.86 DYRK1A (0.42) DYRK1AGRM5TGFBR1SCN5A
SCHEMBL3347239 0.86 DYRK1A (0.45) DYRK1AGRM5TGFBR1SCN5A
SCHEMBL3346211 0.81 DYRK1A (0.41) DYRK1AGRM5TGFBR1SCN5A
SCHEMBL3346476 0.79 DYRK1A (0.41) DYRK1AGRM5TGFBR1SCN5AL3MBTL1
SCHEMBL3347011 0.79 DYRK1A (0.41) DYRK1AGRM5KCNH2TGFBR1SCN5A
SCHEMBL3348434 0.78 GRM5 (0.54) DYRK1AGRM5KCNH2
SCHEMBL3346431 0.77 PTPRC (0.36) GRM5
SCHEMBL3347287 0.77 DYRK1A (0.44) DYRK1AGRM5TGFBR1SCN5AMEN1
SCHEMBL3351713 0.77 KCNN3 (0.38) GRM5KCNH2

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