SCHEMBL12427745

SCHEMBL12427745

Bc1ccc2c(c1)C(c1ncnc3c1cnn3C1CCCCC1)C(=O)N2

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 16/20 0.41
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38
SLC2A1 P11166 1/20 0.35
SLC2A2 P11168 1/20 0.35
SLC2A3 P11169 1/20 0.35
GRM1 Q13255 1/20 0.34
PDE1C Q14123 1/20 0.34
EGFR P00533 1/20 0.34
BTK Q06187 1/20 0.34

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
SCHEMBL2075106 0.89 PDE9A (0.41) PDE9AABL1BCRSLC2A1SLC2A2
SCHEMBL2078601 0.89 PDE9A (0.41) PDE9AABL1BCRSLC2A1SLC2A2
SCHEMBL2077452 0.89 PDE9A (0.52) PDE9AABL1BCRGRM1
SCHEMBL12428936 0.88 PDE9A (0.40) PDE9AABL1BCRSLC2A1SLC2A2
SCHEMBL2077068 0.87 PDE9A (0.40) PDE9AABL1BCRSLC2A1SLC2A2
SCHEMBL2075470 0.87 PDE9A (0.40) PDE9AABL1BCRSLC2A1SLC2A2
SCHEMBL2075485 0.87 PDE9A (0.51) PDE9AGRM1
SCHEMBL2301396 0.87 PDE9A (0.41) PDE9AABL1BCRSLC2A1SLC2A2
SCHEMBL13007161 0.86 PDE9A (0.39) PDE9AABL1BCRSLC2A1SLC2A2
SCHEMBL3780059 0.86 RET (0.42) PDE9AABL1BCRSLC2A1SLC2A2

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
EP-2351751-A1 Substituted pyrazolopyrimidines CEPHALON, INC. (US) 2011-08-03 EP disclosed
WO-2008063232-A2 SUBSTITUTED PYRAZOLOPYRIMIDINES CEPHALON, INC. (US) 2008-05-29 WO disclosed