SCHEMBL14746248

SCHEMBL14746248

CC1(C)C(=O)Nc2nc(-c3nc(Cc4ccccc4F)c4ncccn34)nc(CCC(F)(F)F)c21

nearest known ligand 0.63

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.63

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
SCHEMBL14754751 0.88 PDE5A (0.49) PDE5A
SCHEMBL19480647 0.88 PDE5A (0.59) PDE5A
SCHEMBL14746629 0.86 PDE5A (0.53) PDE5A
SCHEMBL14746119 0.86 GUCY1A1 (0.53) PDE5A
SCHEMBL15120888 0.77 PDE5A (1.00) PDE5A
SCHEMBL15120887 0.73 PDE5A (1.00) PDE5A
SCHEMBL15120980 0.71 PDE5A (1.00) PDE5A
SCHEMBL3575506 0.71 L3MBTL1 (0.42)
SCHEMBL3579101 0.70 NPC1 (0.41)
SCHEMBL14776476 0.70 GUCY1A1 (0.53)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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