SCHEMBL8199836

SCHEMBL8199836

COc1ccc(-c2nn3ccccc3c2-c2ccc(=O)[nH]n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3A Q14432 3/20 0.60
PDE5A O76074 1/20 0.60
LMNA P02545 1/20 0.55
IGF1R P08069 2/20 0.43
MAPK14 Q16539 2/20 0.43
MAPK1 P28482 2/20 0.43
MAPK3 P27361 1/20 0.43
CCNE2 O96020 1/20 0.42
CDK4 P11802 1/20 0.42
CCND1 P24385 1/20 0.42
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
PDE4B Q07343 3/20 0.42
ADORA1 P30542 4/20 0.41
ADORA3 P0DMS8 2/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41

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
SCHEMBL8193845 0.88 PDE3A (0.56) PDE3APDE5ALMNAIGF1RMAPK14
SCHEMBL5810385 0.87 PDE3A (0.65) PDE3APDE5AIGF1RMAPK14MAPK1
SCHEMBL7367727 0.85 LMNA (0.53) PDE3APDE5ALMNAMAPK1CCNE2
SCHEMBL6818685 0.83 PDE3A (0.47) PDE3APDE5ALMNAIGF1RMAPK14
SCHEMBL8186528 0.82 PDE3A (0.60) PDE3APDE5ALMNAIGF1RMAPK14
SCHEMBL8193833 0.81 ADORA1 (0.52) IGF1RMAPK14MAPK1ADORA1ADORA3
SCHEMBL6824619 0.80 LMNA (0.46) PDE3APDE5ALMNAMAPK14MAPK1
SCHEMBL8185746 0.78 PDE3A (0.57) PDE3APDE5AIGF1RMAPK14MAPK1
SCHEMBL8195253 0.78 PDE3A (0.57) PDE3APDE5AIGF1RMAPK14MAPK1
SCHEMBL7664915 0.77 ADORA1 (0.53) LMNAIGF1RMAPK14MAPK1MAPK3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000024742-A1 PYRAZOLOPYRIDINE AS ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-05-04 WO disclosed