SCHEMBL27557124

SCHEMBL27557124

Nc1cc(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)n1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.62
KCNH2 Q12809 1/20 0.62
PDE5A O76074 17/20 0.58
GUCY1A1 Q02108 1/20 0.51
GUCY1B1 Q02153 1/20 0.51

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
SCHEMBL174847 0.89 ADORA3 (0.67) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
Hydrochloric Acid SCHEMBL18496411 0.88 ADORA3 (0.66) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL12764541 0.88 ADORA3 (0.61) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
Hydrochloric Acid SCHEMBL1930775 0.88 ADORA3 (0.66) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL18496415 0.87 PDE5A (0.59) ADORA3KCNH2PDE5A
SCHEMBL29154434 0.87 ADORA3 (0.68) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL175433 0.87 ADORA3 (0.68) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL19126593 0.86 ADORA3 (0.59) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL256537 0.86 ADORA3 (0.64) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL175568 0.86 ADORA3 (0.64) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1

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
CN-104892459-A Riociguat intermediate and preparation method thereof SUZHOU MIRACPHARMA TECHNOLOGY CO LTD 2015-09-09 CN disclosed
CN-1330649-C Carbamate-substituted pyrazolopyridines BAYER AG (DE) 2007-08-08 CN disclosed
CN-1665811-A Carbamate-substituted pyrazolopyridines BAYER AG (DE) 2005-09-07 CN disclosed