SCHEMBL19019367

SCHEMBL19019367

CNN(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1N

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.73
KCNH2 Q12809 1/20 0.73
PDE5A O76074 12/20 0.55
GUCY1A1 Q02108 6/20 0.51
GUCY1B1 Q02153 6/20 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
SCHEMBL19934018 0.90 ADORA3 (0.75) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL19146087 0.87 ADORA3 (0.71) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL173783 0.87 ADORA3 (0.73) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL19147397 0.87 ADORA3 (0.68) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL20148914 0.86 ADORA3 (0.67) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL19019528 0.86 ADORA3 (0.75) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL19019365 0.86 ADORA3 (0.70) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL30507540 0.85 ADORA3 (0.82) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL18212216 0.85 ADORA3 (0.82) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL174915 0.85 ADORA3 (0.82) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1

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
WO-2017103760-A1 NOVEL POLYMORPH OF RIOCIGUAT AND ITS PROCESS FOR THE PREPARATION ALEMBIC PHARMACEUTICALS LIMITED (IN) 2017-06-22 WO disclosed