SCHEMBL3346568

SCHEMBL3346568

Fc1ccc(C#Cc2ccn3nccc3n2)nc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.43
OGA O60502 1/20 0.37
DYRK1A Q13627 1/20 0.35
TGFBR1 P36897 3/20 0.35
SCN5A Q14524 1/20 0.35
KCNH2 Q12809 1/20 0.32
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
PIK3CD O00329 1/20 0.30
USP30 Q70CQ3 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
SCHEMBL3346603 0.82 GRM5 (0.41) GRM5OGADYRK1ATGFBR1SCN5A
SCHEMBL3347027 0.79 GRM5 (0.50) GRM5DYRK1ATGFBR1KCNH2
SCHEMBL3348828 0.76 TGFBR1 (0.39) GRM5OGADYRK1ATGFBR1SCN5A
SCHEMBL3347295 0.76 GRM5 (0.48) GRM5DYRK1A
SCHEMBL3345917 0.75 GRM5 (0.44) GRM5OGADYRK1ATGFBR1SCN5A
SCHEMBL3347519 0.74 GRM4 (0.46) GRM5DYRK1A
SCHEMBL3347563 0.73 GRM5 (0.36) GRM5DYRK1ASCN5A
SCHEMBL3347789 0.73 GRM5 (0.49) GRM5OGADYRK1ATGFBR1SCN5A
SCHEMBL3345958 0.72 GRM5 (0.52) GRM5KCNH2
SCHEMBL3346766 0.72 GRM5 (0.53) GRM5TGFBR1

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