SCHEMBL7399130

SCHEMBL7399130

COc1ccccc1-c1nn2ccncc2c1-c1ccc(=O)[nH]n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3A Q14432 6/20 0.45
PDE5A O76074 1/20 0.45
PDE4B Q07343 4/20 0.38
PDE4A P27815 3/20 0.38
PDE4C Q08493 3/20 0.38
PDE4D Q08499 3/20 0.38
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
LMNA P02545 3/20 0.36
CYP1A2 P05177 3/20 0.36
HPGD P15428 2/20 0.36
CYP2C19 P33261 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
FYN P06241 2/20 0.35

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
SCHEMBL8186528 0.87 PDE3A (0.60) PDE3APDE5APDE4BPDE4APDE4C
SCHEMBL7363841 0.84 PDE3A (0.45) PDE3APDE5APDE4BCYP11B1CYP11B2
SCHEMBL7369957 0.82 PDE3A (0.48) PDE3APDE5APDE4BLMNACYP1A2
SCHEMBL7367727 0.81 LMNA (0.53) PDE3APDE5APDE4BPDE4APDE4C
SCHEMBL7364069 0.80 PDE1A (0.39) CYP11B1CYP11B2LMNACYP1A2HPGD
SCHEMBL7369589 0.78 PDE3A (0.39) PDE3APDE5APDE4BPDE4ACYP1A2
SCHEMBL7395677 0.75 PDE3A (0.42) PDE3APDE5APDE4BPDE4APDE4C
SCHEMBL7401220 0.74 PDE3A (0.41) PDE3APDE5ACYP11B1PTGS1PTGS2
SCHEMBL7366330 0.73 PDE3A (0.40) PDE3APDE5APDE4BPDE4APDE4C
SCHEMBL6821911 0.73 PDE3A (0.44) PDE3APDE5APDE4BPDE4APDE4C

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