SCHEMBL3347208

SCHEMBL3347208

N#Cc1ccccc1C#Cc1ccn2nccc2n1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.36
ADRA1A P35348 2/20 0.35
OGA O60502 1/20 0.33
CYP19A1 P11511 1/20 0.33
HTT P42858 1/20 0.33
SCN5A Q14524 1/20 0.33
CDK2 P24941 1/20 0.33
GRM5 P41594 1/20 0.31
KDM4E B2RXH2 1/20 0.31
FGFR2 P21802 1/20 0.30
TGFBR1 P36897 1/20 0.30
EPHB3 P54753 1/20 0.30
TSHR P16473 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
SCHEMBL3345917 0.82 GRM5 (0.44) DYRK1AOGASCN5AGRM5TGFBR1
SCHEMBL3346192 0.82 GRM5 (0.47) DYRK1AOGASCN5AGRM5TGFBR1
SCHEMBL3346833 0.82 GRM5 (0.50) DYRK1AOGASCN5AGRM5TGFBR1
SCHEMBL2177472 0.81 DYRK1A (0.44) DYRK1AOGASCN5ACDK2TGFBR1
SCHEMBL3346819 0.79 SCN5A (0.39) DYRK1AOGASCN5AGRM5TGFBR1
SCHEMBL3347519 0.78 GRM4 (0.46) DYRK1AGRM5KDM4E
SCHEMBL3348828 0.77 TGFBR1 (0.39) DYRK1AOGASCN5AGRM5TGFBR1
SCHEMBL3347261 0.77 GRM5 (0.47) GRM5
SCHEMBL3347027 0.77 GRM5 (0.50) DYRK1AGRM5TGFBR1
SCHEMBL3347789 0.74 GRM5 (0.49) DYRK1AOGASCN5AGRM5KDM4E

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