SCHEMBL20190965

SCHEMBL20190965

COc1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1N

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.70
KCNH2 Q12809 1/20 0.70
PDE5A O76074 13/20 0.56
GUCY1A1 Q02108 5/20 0.54
GUCY1B1 Q02153 5/20 0.54

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
SCHEMBL29154434 0.89 ADORA3 (0.68) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL174847 0.88 ADORA3 (0.67) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL175007 0.88 ADORA3 (0.62) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
Hydrochloric Acid SCHEMBL1930775 0.87 ADORA3 (0.66) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
Hydrochloric Acid SCHEMBL18496411 0.87 ADORA3 (0.66) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL4939648 0.87 ADORA3 (0.64) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL16106158 0.87 ADORA3 (0.66) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL175433 0.86 ADORA3 (0.68) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL27557146 0.86 ADORA3 (0.68) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL16106157 0.86 ADORA3 (0.65) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112105358-B Non-steroidal mineralocorticoid receptor antagonists alone or in combination for the treatment of muscle or neuromuscular diseases 拜耳公司 2023-10-13 CN claimed
CN-112105358-A Non-steroidal mineralocorticoid receptor antagonists for use alone or in combination in the treatment of muscular or neuromuscular diseases 拜耳公司 2020-12-18 CN claimed
WO-2018096550-A1 PROCESS FOR THE PREPARATION OF METHYL 4,6-DIAMINO-2-[1-(2-FLUOROBENZYL)-1H-PYRAZOLO[3,4-B]PYRIDIN-3-YL]-5-PYRIMIDINYL(METHYL)CARBAMATE AND ITS POLYMORPHS THEREOF MSN LABORATORIES PRIVATE LIMITED, R&D CENTER (IN) 2018-05-31 WO claimed
CN-112105358-B Non-steroidal mineralocorticoid receptor antagonists alone or in combination for the treatment of muscle or neuromuscular diseases 拜耳公司 2023-10-13 CN disclosed
CN-113750102-A Stimulators and/or activators of soluble guanylate cyclase and uses thereof 拜耳制药股份公司 2021-12-07 CN disclosed
CN-113712969-A Stimulators and/or activators of soluble guanylate cyclase and uses thereof 拜耳制药股份公司 2021-11-30 CN disclosed
CN-108430510-B Stimulators and/or activators of soluble guanylate cyclase (sGC) in combination with inhibitors of neutral endopeptidase (NEP inhibitors) and/or angiotensin AII antagonists and uses thereof 拜耳制药股份公司 2021-10-29 CN disclosed
CN-112105358-A Non-steroidal mineralocorticoid receptor antagonists for use alone or in combination in the treatment of muscular or neuromuscular diseases 拜耳公司 2020-12-18 CN disclosed
WO-2018096550-A1 PROCESS FOR THE PREPARATION OF METHYL 4,6-DIAMINO-2-[1-(2-FLUOROBENZYL)-1H-PYRAZOLO[3,4-B]PYRIDIN-3-YL]-5-PYRIMIDINYL(METHYL)CARBAMATE AND ITS POLYMORPHS THEREOF MSN LABORATORIES PRIVATE LIMITED, R&D CENTER (IN) 2018-05-31 WO disclosed