SCHEMBL3351686

SCHEMBL3351686

Clc1ccc(C#Cc2ccn3nccc3n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.49
DYRK1A Q13627 1/20 0.37
TRPV3 Q8NET8 1/20 0.36
KCNH2 Q12809 1/20 0.35
OGA O60502 1/20 0.34
MCHR1 Q99705 2/20 0.33
SCN5A Q14524 1/20 0.33
GRM4 Q14833 1/20 0.33
PDE10A Q9Y233 1/20 0.33
NOTUM Q6P988 1/20 0.33

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
SCHEMBL3347519 0.86 GRM4 (0.46) GRM5DYRK1AGRM4
SCHEMBL3346603 0.85 GRM5 (0.41) GRM5DYRK1ATRPV3OGASCN5A
SCHEMBL3346384 0.85 GRM5 (0.43) GRM5DYRK1AKCNH2OGAPDE10A
SCHEMBL3347789 0.84 GRM5 (0.49) GRM5DYRK1AOGASCN5AGRM4
SCHEMBL3348434 0.84 GRM5 (0.54) GRM5DYRK1AKCNH2
SCHEMBL3347364 0.81 SCN5A (0.39) GRM5DYRK1AOGASCN5A
SCHEMBL3345958 0.78 GRM5 (0.52) GRM5KCNH2
SCHEMBL3346833 0.78 GRM5 (0.50) GRM5DYRK1AKCNH2OGASCN5A
SCHEMBL3346767 0.77 GRM5 (0.46) GRM5DYRK1AOGASCN5A
SCHEMBL3346805 0.75 DYRK1A (0.43) GRM5DYRK1AGRM4

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