SCHEMBL326601

SCHEMBL326601

CCC(C(=O)O)c1cnc(-c2nn(Cc3ccccc3F)c3ncc(F)cc23)nc1Cl

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 18/20 0.55
GUCY1A1 Q02108 2/20 0.47
GUCY1B1 Q02153 2/20 0.47

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
SCHEMBL327099 0.89 PDE5A (0.55) PDE5A
SCHEMBL16245201 0.84 PDE5A (0.56) PDE5AGUCY1A1GUCY1B1
SCHEMBL28947488 0.84 PDE5A (0.56) PDE5AGUCY1A1GUCY1B1
SCHEMBL29859262 0.84 PDE5A (0.56) PDE5AGUCY1A1GUCY1B1
SCHEMBL326907 0.83 PDE5A (0.46) PDE5AGUCY1A1GUCY1B1
SCHEMBL16458548 0.82 PDE5A (0.48) PDE5AGUCY1A1GUCY1B1
SCHEMBL29859508 0.82 PDE5A (0.51) PDE5AGUCY1A1GUCY1B1
SCHEMBL9914159 0.82 PDE5A (0.51) PDE5AGUCY1A1GUCY1B1
SCHEMBL27925580 0.81 PDE5A (0.51) PDE5AGUCY1A1GUCY1B1
SCHEMBL28947493 0.79 PDE5A (0.54) PDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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-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