SCHEMBL3346885

SCHEMBL3346885

CC(O)C#Cc1ccn2nccc2n1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OGA O60502 1/20 0.38
DYRK1A Q13627 1/20 0.37
PCSK9 Q8NBP7 1/20 0.36
TGFBR1 P36897 2/20 0.33
SCN5A Q14524 1/20 0.33
FGFR2 P21802 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.31
CBLB Q13191 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
SCHEMBL3347276 0.81 DYRK1A (0.35) OGADYRK1APCSK9TGFBR1SCN5A
SCHEMBL3347627 0.76 OGA (0.38) OGADYRK1APCSK9TGFBR1SCN5A
SCHEMBL3346766 0.74 GRM5 (0.53) TGFBR1
SCHEMBL3347519 0.73 GRM4 (0.46) DYRK1A
SCHEMBL3346384 0.73 GRM5 (0.43) OGADYRK1ATGFBR1
SCHEMBL31001821 0.72 DYRK1A (0.41) DYRK1APCSK9TGFBR1SCN5AIRAK4
SCHEMBL3347789 0.72 GRM5 (0.49) OGADYRK1ATGFBR1SCN5A
SCHEMBL3347027 0.72 GRM5 (0.50) DYRK1ATGFBR1
SCHEMBL2717282 0.72 DYRK1A (0.44) OGADYRK1APCSK9TGFBR1SCN5A
SCHEMBL2177472 0.72 DYRK1A (0.44) OGADYRK1APCSK9TGFBR1SCN5A

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