SCHEMBL3346732

SCHEMBL3346732

C[Si](C)(C)C#CCCc1ccn2nccc2n1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.36
MET P08581 1/20 0.35
GRM5 P41594 1/20 0.33
TGFBR1 P36897 2/20 0.33
SCN5A Q14524 1/20 0.33
PCSK9 Q8NBP7 1/20 0.31
PDE10A Q9Y233 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
SCHEMBL3345876 0.80 GRM5 (0.53) GRM5TGFBR1PDE10A
SCHEMBL3347219 0.80 GRM5 (0.37) DYRK1AMETGRM5SCN5APDE10A
SCHEMBL3351211 0.80 GRM5 (0.56) DYRK1AMETGRM5TGFBR1PDE10A
SCHEMBL3347285 0.79 KDM4E (0.37)
SCHEMBL3347669 0.79 PDE10A (0.35) DYRK1AMETGRM5TGFBR1PCSK9
SCHEMBL16848813 0.78 DYRK1A (0.41) DYRK1AMETTGFBR1SCN5APCSK9
SCHEMBL3347361 0.78 GRM5 (0.36) DYRK1AMETGRM5PDE10A
SCHEMBL3346840 0.77 GRM5 (0.36) DYRK1AMETGRM5TGFBR1PDE10A
SCHEMBL3347176 0.77 GRM5 (0.40) DYRK1AGRM5SCN5APDE10A
SCHEMBL3351121 0.76 GRM5 (0.34) DYRK1AMETGRM5PDE10A

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