SCHEMBL3348828

SCHEMBL3348828

Fc1ncccc1C#Cc1ccn2nccc2n1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.39
DYRK1A Q13627 1/20 0.35
OGA O60502 1/20 0.34
SCN5A Q14524 1/20 0.34
GRM5 P41594 3/20 0.32

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 0.83 GRM5 (0.44) TGFBR1DYRK1AOGASCN5AGRM5
SCHEMBL3347027 0.78 GRM5 (0.50) TGFBR1DYRK1AGRM5
SCHEMBL3346833 0.77 GRM5 (0.50) TGFBR1DYRK1AOGASCN5AGRM5
SCHEMBL3346192 0.77 GRM5 (0.47) TGFBR1DYRK1AOGASCN5AGRM5
SCHEMBL3347208 0.77 DYRK1A (0.36) TGFBR1DYRK1AOGASCN5AGRM5
SCHEMBL3346819 0.77 SCN5A (0.39) TGFBR1DYRK1AOGASCN5AGRM5
SCHEMBL3346922 0.76 GRM5 (0.39) TGFBR1DYRK1AGRM5
SCHEMBL3346568 0.76 GRM5 (0.43) TGFBR1DYRK1AOGASCN5AGRM5
SCHEMBL3346603 0.75 GRM5 (0.41) TGFBR1DYRK1AOGASCN5AGRM5
SCHEMBL3347519 0.73 GRM4 (0.46) DYRK1AGRM5

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