SCHEMBL14746533

SCHEMBL14746533

CC1(C)C(=O)Nc2nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc(OCCO)c21

nearest known ligand 0.75

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 20/20 0.75

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
SCHEMBL14746608 0.93 PDE5A (0.77) PDE5A
SCHEMBL14746584 0.91 PDE5A (0.79) PDE5A
SCHEMBL14754812 0.91 PDE5A (0.78) PDE5A
SCHEMBL14746487 0.90 PDE5A (0.80) PDE5A
SCHEMBL14754832 0.89 PDE5A (0.73) PDE5A
SCHEMBL14746445 0.89 PDE5A (0.75) PDE5A
SCHEMBL17541304 0.89 PDE5A (0.75) PDE5A
SCHEMBL17541337 0.88 PDE5A (0.74) PDE5A
SCHEMBL14746267 0.88 PDE5A (0.76) PDE5A
SCHEMBL14746544 0.87 PDE5A (0.82) 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 3 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-2751106-A1 SUBSTITUTED ANNELLATED PYRIMIDINE AND THE USE THEREOF Bayer Intellectual Property GmbH (DE) 2014-07-09 — — EP disclosed
WO-2013030288-A1 SUBSTITUTED ANNELLATED PYRIMIDINE AND THE USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-03-07 — — WO disclosed
Send feedback