SCHEMBL175275

SCHEMBL175275

NC(=NCC(=O)O)c1nn(Cc2ccccc2F)c2ncc(F)cc12

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 16/20 0.47
GUCY1A1 Q02108 2/20 0.43
GUCY1B1 Q02153 2/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL14746418 0.92 PDE5A (0.41) PDE5AGUCY1A1GUCY1B1
SCHEMBL15519721 0.90 PTGDR2 (0.39) PDE5AGUCY1A1GUCY1B1PTGDR2
SCHEMBL19244701 0.89 PTGDR2 (0.40) PDE5AGUCY1A1GUCY1B1PTGDR2
SCHEMBL19244708 0.87 PDE5A (0.36) PDE5AGUCY1A1GUCY1B1
SCHEMBL19304767 0.86 PDE5A (0.43) PDE5AGUCY1A1GUCY1B1MEN1KMT2A
SCHEMBL174635 0.85 PDE5A (0.48) PDE5AGUCY1A1GUCY1B1
SCHEMBL15519699 0.85 PDE5A (0.34) PDE5AGUCY1A1GUCY1B1PTGDR2
SCHEMBL19244706 0.85 GRIN1 (0.34) PDE5AGUCY1A1GUCY1B1
Hydrochloric Acid SCHEMBL29219152 0.84 PDE5A (0.47) PDE5AGUCY1A1GUCY1B1
SCHEMBL18672347 0.84 PDE5A (0.51) PDE5AGUCY1A1GUCY1B1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2751106-B1 SUBSTITUTED ANNELLATED PYRIMIDINE AND THE USE THEREOF BAYER IP GMBH (DE) 2017-10-18 EP disclosed
EP-2590987-B1 CONDENSED 4-AMINOPYRIMIDINES AND THEIR USE AS STIMULATORS OF SOLUBLE GUANYLATE CYCLASE BAYER IP GMBH (DE) 2016-03-09 EP disclosed
EP-2611802-B1 BICYCLIC AZA-HETEROCYCLES AND THEIR USE BAYER IP GMBH (DE) 2016-02-24 EP disclosed
EP-2576547-B1 SUBSTITUTED 5-FLUORO-1H-PYRAZOLOPYRIDINES AND USE THEREOF ADVERIO PHARMA GMBH (DE) 2016-01-27 EP disclosed
EP-2802592-A1 SUBSTITUTED ANNULATED PYRIMIDINES AND TRIAZINES, AND USE THEREOF Bayer Pharma Aktiengesellschaft (DE) 2014-11-19 EP disclosed
EP-2708539-A1 Annulated pyrimidines and triazines and their use Bayer Intellectual Property GmbH (DE) 2014-03-19 EP disclosed
EP-2687210-A1 Stimulators and activators of soluble guanylate cyclase for use in the treatment of sickle cell anaemia and preservation of blood substitutes Bayer Intellectual Property GmbH (DE) 2014-01-22 EP disclosed
EP-2682394-A1 1H-pyrazolo[3,4-b]pyridin-triazine derivatives and their use for the treatment or the prevention of cardiovascular diseases Bayer Intellectual Property GmbH (DE) 2014-01-08 EP disclosed
WO-2013104703-A1 SUBSTITUTED ANNULATED PYRIMIDINES AND TRIAZINES, AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-07-18 WO disclosed
EP-2611802-A1 BICYCLIC AZA HETEROCYCLES, AND USE THEREOF Bayer Intellectual Property GmbH (DE) 2013-07-10 EP disclosed
EP-2590979-A1 RING-FUSED PYRIMIDINES AND TRIAZINES AND USE THEREOF FOR THE TREATMENT AND/OR PROPHYLAXIS OF CARDIOVASCULAR DISEASES Bayer Intellectual Property GmbH (DE) 2013-05-15 EP disclosed
EP-2590987-A1 RING-FUSED 4 -AMINOPYRIMIDINES AND USE THEREOF AS STIMULATORS OF SOLUABLE GUANYLATE CYCLASES Bayer Intellectual Property GmbH (DE) 2013-05-15 EP disclosed
EP-2576547-A1 SUBSTITUTED 5-FLUORO-1H-PYRAZOLOPYRIDINES AND USE THEREOF Bayer Intellectual Property GmbH (DE) 2013-04-10 EP disclosed
WO-2012004258-A9 RING-FUSED PYRIMIDINES AND TRIAZINES AND USE THEREOF FOR THE TREATMENT AND/OR PROPHYLAXIS OF CARDIOVASCULAR DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-06-07 WO disclosed
WO-2012028647-A1 BICYCLIC AZA HETEROCYCLES, AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-08 WO disclosed
WO-2012004258-A1 RING-FUSED PYRIMIDINES AND TRIAZINES AND USE THEREOF FOR THE TREATMENT AND/OR PROPHYLAXIS OF CARDIOVASCULAR DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-12 WO disclosed
WO-2012004259-A1 RING-FUSED 4 -AMINOPYRIMIDINES AND USE THEREOF AS STIMULATORS OF SOLUABLE GUANYLATE CYCLASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-12 WO disclosed
WO-2011147809-A1 SUBSTITUTED 5-FLUORO-1H-PYRAZOLOPYRIDINES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-01 WO disclosed