SCHEMBL27928985

SCHEMBL27928985

Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2c1CC(C=O)N2

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.55
KCNH2 Q12809 1/20 0.55
GUCY1A1 Q02108 7/20 0.54
GUCY1B1 Q02153 7/20 0.54
PDE5A O76074 11/20 0.54

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
SCHEMBL27907472 0.86 PDE5A (0.57) PDE5A
SCHEMBL27907475 0.83 PDE5A (0.60) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
SCHEMBL327098 0.82 PDE5A (0.62) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
SCHEMBL174664 0.80 GUCY1A1 (0.59) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
SCHEMBL174847 0.80 ADORA3 (0.67) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
SCHEMBL9913975 0.79 PDE5A (0.57) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
Hydrochloric Acid SCHEMBL15732830 0.79 GUCY1A1 (0.58) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
Hydrochloric Acid SCHEMBL18496411 0.79 ADORA3 (0.66) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
Hydrochloric Acid SCHEMBL1930775 0.79 ADORA3 (0.66) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
SCHEMBL325995 0.79 PDE5A (0.59) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103180327-A Fused-ring 4-aminopyrimidines and their use as stimulators of soluble guanylate cyclase Bayer Pharma AG 2013-06-26 CN disclosed