SCHEMBL9914040

SCHEMBL9914040

COC(=O)C(C)(C)c1nnc(-c2nn(Cc3cccc(F)c3F)c3ncc(F)cc23)nc1O

nearest known ligand 0.51

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 20/20 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
SCHEMBL326700 0.94 PDE5A (0.55) PDE5A
SCHEMBL9913960 0.90 ADORA3 (0.51) PDE5A
SCHEMBL9913987 0.89 PDE5A (0.42) PDE5A
SCHEMBL9913940 0.89 PDE5A (0.49) PDE5A
SCHEMBL16370352 0.88 PDE5A (0.57) PDE5A
SCHEMBL15111571 0.88 PDE5A (0.57) PDE5A
SCHEMBL15937792 0.88 PDE5A (0.45) PDE5A
SCHEMBL15944482 0.88 PDE5A (0.43) PDE5A
SCHEMBL14488226 0.86 PDE5A (0.42) PDE5A
SCHEMBL16370287 0.86 PDE5A (0.55) 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
US-9216978-B2 Ring-fused pyrimidines and triazines and use thereof for the treatment and/or prophylaxis of cardiovascular diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-22 — — US disclosed
US-9216978-B2 Ring-fused pyrimidines and triazines and use thereof for the treatment and/or prophylaxis of cardiovascular diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-22 — — US 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
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