SCHEMBL2442029

SCHEMBL2442029

Cc1ccc(F)c(Cc2nn(-c3nc(N)c(N(C)C(=O)O)c(N)n3)c3ccc(F)cc23)c1F

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GUCY1A1 Q02108 18/20 0.63
GUCY1B1 Q02153 18/20 0.63
KCNH2 Q12809 11/20 0.63
PDE5A O76074 2/20 0.41

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
SCHEMBL14482021 0.95 GUCY1A1 (0.70) GUCY1A1GUCY1B1KCNH2PDE5A
SCHEMBL2520175 0.87 GUCY1A1 (0.82) GUCY1A1GUCY1B1KCNH2PDE5A
SCHEMBL14481803 0.86 GUCY1A1 (0.65) GUCY1A1GUCY1B1KCNH2PDE5A
SCHEMBL2450778 0.85 GUCY1A1 (0.86) GUCY1A1GUCY1B1KCNH2PDE5A
SCHEMBL2530313 0.85 GUCY1A1 (0.69) GUCY1A1GUCY1B1KCNH2PDE5A
SCHEMBL14481628 0.84 GUCY1A1 (0.67) GUCY1A1GUCY1B1KCNH2PDE5A
SCHEMBL2447914 0.84 GUCY1A1 (0.82) GUCY1A1GUCY1B1KCNH2
SCHEMBL14549839 0.82 GUCY1A1 (0.77) GUCY1A1GUCY1B1KCNH2PDE5A
SCHEMBL2519480 0.82 GUCY1A1 (0.61) GUCY1A1GUCY1B1KCNH2PDE5A
SCHEMBL14481692 0.79 GUCY1A1 (0.66) GUCY1A1GUCY1B1KCNH2PDE5A

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-2011119518-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. (US) 2011-09-29 WO disclosed