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SCHEMBL174864

SCHEMBL174864

CC(C)(C)N(C(=O)O)S(=O)(=O)N1CCNc2nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c21

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.54
▸ KCNH2 Q12809 1/20 0.54
▸ GUCY1A1 Q02108 15/20 0.54
▸ GUCY1B1 Q02153 15/20 0.54
▸ PDE5A O76074 3/20 0.49

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
SCHEMBL173814 0.86 ADORA3 (0.54) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
SCHEMBL15732792 0.86 ADORA3 (0.55) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
SCHEMBL255809 0.85 ADORA3 (0.54) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
SCHEMBL256239 0.81 ADORA3 (0.63) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
SCHEMBL257105 0.80 PDE5A (0.58) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
SCHEMBL10242993 0.79 ADORA3 (0.57) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
SCHEMBL256241 0.78 ADORA3 (0.57) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
SCHEMBL256304 0.78 ADORA3 (0.54) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
Formic Acid SCHEMBL15732878 0.78 PDE5A (0.56) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
SCHEMBL5763523 0.76 ADORA3 (0.70) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611802-A1 BICYCLIC AZA HETEROCYCLES, AND USE THEREOF Bayer Intellectual Property GmbH (DE) 2013-07-10 — — EP disclosed
WO-2012028647-A1 BICYCLIC AZA HETEROCYCLES, AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-08 — — WO disclosed