SCHEMBL3346845

SCHEMBL3346845

Nc1cccc(C#CCc2ccn3nccc3n2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.40
ASIC3 Q9UHC3 2/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33
PIK3CA P42336 1/20 0.32
MTOR P42345 1/20 0.32
PDK1 Q15118 1/20 0.32
FFAR1 O14842 1/20 0.32
ADRB2 P07550 1/20 0.31
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TGFBR1 P36897 1/20 0.30
HCRTR1 O43613 1/20 0.30
MET P08581 1/20 0.30
FGFR1 P11362 1/20 0.30
FGFR2 P21802 1/20 0.30
FGFR4 P22455 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
SCHEMBL3346207 0.85 GRM5 (0.36) DYRK1ARAB9A
SCHEMBL3346390 0.84 DYRK1A (0.36) DYRK1ARAB9AMET
SCHEMBL3346361 0.82 GRM5 (0.41) FFAR1
SCHEMBL3346805 0.79 DYRK1A (0.43) DYRK1AASIC3CSNK2A2CSNK2BCSNK2A1
SCHEMBL3348360 0.78 GRM5 (0.44) RAB9A
SCHEMBL3346817 0.76 DYRK1A (0.41) DYRK1ARAB9ATGFBR1
SCHEMBL3346526 0.73 GRM5 (0.37) DYRK1A
SCHEMBL3346840 0.73 GRM5 (0.36) DYRK1AFFAR1TGFBR1MET
SCHEMBL3348887 0.73 GRM5 (0.38) DYRK1A
SCHEMBL3347219 0.71 GRM5 (0.37) DYRK1ADRD2DRD3FFAR1RAB9A

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