SCHEMBL7369957

SCHEMBL7369957

O=c1ccc(-c2c(-c3ccccc3)nn3ccncc23)n[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3A Q14432 4/20 0.48
PDE5A O76074 1/20 0.48
CYP1A2 P05177 1/20 0.48
IGF1R P08069 2/20 0.41
PDE3B Q13370 2/20 0.41
MAPK1 P28482 3/20 0.40
MAPK14 Q16539 2/20 0.40
MAPK3 P27361 1/20 0.40
ADORA1 P30542 2/20 0.39
PIM1 P11309 1/20 0.36
PIM3 Q86V86 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
HPGD P15428 1/20 0.35
EGFR P00533 1/20 0.35
RAF1 P04049 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
GSK3B P49841 1/20 0.35
GPR119 Q8TDV5 1/20 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
SCHEMBL7395677 0.88 PDE3A (0.42) PDE3APDE5ACYP1A2PDE3BMAPK14
SCHEMBL7401220 0.87 PDE3A (0.41) PDE3APDE5ACYP1A2IGF1RPDE3B
SCHEMBL7367727 0.85 LMNA (0.53) PDE3APDE5ACYP1A2PDE3BMAPK1
SCHEMBL5810385 0.85 PDE3A (0.65) PDE3APDE5ACYP1A2IGF1RMAPK1
SCHEMBL7363841 0.84 PDE3A (0.45) PDE3APDE5ACYP1A2PDE3BPIM1
SCHEMBL7366330 0.83 PDE3A (0.40) PDE3APDE5ACYP1A2PDE3BMAPK14
SCHEMBL7399130 0.82 PDE3A (0.45) PDE3APDE5ACYP1A2PDE3BMAPK1
SCHEMBL5670985 0.80 ADORA2A (0.41) IGF1RMAPK14ADORA1PIM1PIM2
SCHEMBL7373031 0.79 ADORA1 (0.48) IGF1RMAPK1MAPK14ADORA1EGFR
SCHEMBL7369589 0.78 PDE3A (0.39) PDE3APDE5ACYP1A2PDE3BMAPK14

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