SCHEMBL6224401

SCHEMBL6224401

CCOC(=O)Oc1nn(Cc2cccc(F)c2F)c2ncccc12

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 17/20 0.47
ADORA3 P0DMS8 1/20 0.44
KCNH2 Q12809 1/20 0.44
GUCY1A1 Q02108 2/20 0.39
GUCY1B1 Q02153 2/20 0.39

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
SCHEMBL3953305 0.92 PDE5A (0.54) PDE5AADORA3KCNH2GUCY1A1GUCY1B1
SCHEMBL6227911 0.84 PTGDR2 (0.48) PDE5A
SCHEMBL6068569 0.84 ELANE (0.52) PDE5AADORA3KCNH2
SCHEMBL174161 0.78 ADORA3 (0.53) PDE5AADORA3KCNH2GUCY1A1GUCY1B1
SCHEMBL6068600 0.76 CFD (0.49) PDE5AADORA3KCNH2GUCY1A1GUCY1B1
SCHEMBL2883538 0.75 PDE5A (0.53) PDE5AADORA3KCNH2
SCHEMBL9913926 0.74 PDE5A (0.55) PDE5AADORA3KCNH2
SCHEMBL20140289 0.74 ADORA3 (0.45) PDE5AADORA3KCNH2GUCY1A1GUCY1B1
SCHEMBL9913937 0.74 PDE5A (0.54) PDE5AADORA3KCNH2
SCHEMBL327073 0.73 PDE5A (0.44) PDE5AADORA3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1509228-B1 DERIVATIVES OF 2-(1-BENZYL-1H-PYRAZOLO (3, 4-B)PYRIDINE-3YL) -5-(4-PYRIDINYL)-4-PYRIMIDINE AMINE AND THE USE THEREOF AS GUANYLATE CYCLASE STIMULATORS BAYER HEALTHCARE AG (DE) 2005-12-14 EP disclosed
EP-1509228-A1 DERIVATIVES OF 2-(1-BENZYL-1H-PYRAZOLO (3, 4-B)PYRIDINE-3YL) -5-(4-PYRIDINYL)-4-PYRIMIDINE AMINE AND THE USE THEREOF AS GUANYLATE CYCLASE STIMULATORS Bayer HealthCare AG (DE) 2005-03-02 EP disclosed
WO-2003097063-A1 DERIVATIVES OF 2-(1-BENZYL-1H-PYRAZOLO (3, 4-B)PYRIDINE-3YL) -5-(4-PYRIDINYL)-4-PYRIMIDINE AMINE AND THE USE THEREOF AS GUANYLATE CYCLASE STIMULATORS BAYER HEALTHCARE AG (DE) 2003-11-27 WO disclosed