SCHEMBL7366330

SCHEMBL7366330

O=c1ccc(-c2c(-c3ccc(F)c(F)c3)nn3ccncc23)n[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3A Q14432 3/20 0.40
PDE3B Q13370 2/20 0.40
PDE5A O76074 1/20 0.39
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPK14 Q16539 3/20 0.33
GFER P55789 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
EGFR P00533 1/20 0.32
RAF1 P04049 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 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
SCHEMBL7401220 0.86 PDE3A (0.41) PDE3APDE3BPDE5ACYP11B1MAPK14
SCHEMBL7395677 0.86 PDE3A (0.42) PDE3APDE3BPDE5ALMNAMEN1
SCHEMBL7369957 0.83 PDE3A (0.48) PDE3APDE3BPDE5ALMNAMEN1
SCHEMBL7369589 0.82 PDE3A (0.39) PDE3APDE3BPDE5AMAPK14HRH3
SCHEMBL7363841 0.82 PDE3A (0.45) PDE3APDE3BPDE5ACYP11B1CYP11B2
SCHEMBL7367727 0.81 LMNA (0.53) PDE3APDE3BPDE5ALMNAMEN1
SCHEMBL7362732 0.78 BMPR1B (0.37) CYP11B1CYP11B2MAPK14HRH3GRIN1
SCHEMBL7399130 0.73 PDE3A (0.45) PDE3APDE3BPDE5ACYP11B1CYP11B2
SCHEMBL30745172 0.72 LMNA (0.56) PDE3APDE3BLMNAMEN1KMT2A
SCHEMBL29151105 0.72 LMNA (0.56) PDE3APDE3BLMNAMEN1KMT2A

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-1244669-A1 PYRAZOLOPYRAZINES AND THEIR USE AS ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-10-02 EP disclosed
WO-2001040230-A1 PYRAZOLOPYRAZINES AND THEIR USE AS ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-06-07 WO disclosed