SCHEMBL3346840

SCHEMBL3346840

Cc1cccc(C#CCCc2ccn3nccc3n2)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PDE10A Q9Y233 1/20 0.34
FFAR1 O14842 3/20 0.33
DYRK1A Q13627 1/20 0.33
ADORA2B P29275 1/20 0.33
TGFBR1 P36897 1/20 0.33
KCNN3 Q9UGI6 1/20 0.32
FFAR4 Q5NUL3 1/20 0.31
MET P08581 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
SCHEMBL3348887 0.86 GRM5 (0.38) GRM5DYRK1AADORA2B
SCHEMBL3346526 0.86 GRM5 (0.37) GRM5DYRK1AKCNN3
SCHEMBL3347219 0.85 GRM5 (0.37) GRM5HTTPDE10AFFAR1DYRK1A
SCHEMBL3347641 0.85 GRM5 (0.38) GRM5HTTSMN1; SMN2FFAR1ADORA2B
SCHEMBL3347525 0.81 CHRNB2 (0.46) GRM5FFAR1
SCHEMBL3345876 0.80 GRM5 (0.53) GRM5SMN1; SMN2PDE10ATGFBR1
SCHEMBL3347669 0.78 PDE10A (0.35) GRM5PDE10ADYRK1ATGFBR1MET
SCHEMBL3347005 0.78 ALOX5 (0.40) GRM5HTTSMN1; SMN2FFAR1DYRK1A
SCHEMBL3346980 0.77 GRM5 (0.49) GRM5SMN1; SMN2
SCHEMBL3347283 0.77 CYP2A6 (0.36) GRM5PDE10ADYRK1A

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