SCHEMBL2554909

SCHEMBL2554909

CN(C(=O)O)c1cc(-c2c(N)nc(-n3nc(Cc4c(F)ccc(F)c4F)c4cc(Cl)ccc43)nc2N)ccn1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GUCY1A1 Q02108 18/20 0.65
GUCY1B1 Q02153 18/20 0.65
KCNH2 Q12809 12/20 0.65
PDE5A O76074 1/20 0.48
CYP2C9 P11712 1/20 0.37

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
SCHEMBL16694902 0.90 GUCY1A1 (0.65) GUCY1A1GUCY1B1KCNH2PDE5ACYP2C9
SCHEMBL2520175 0.86 GUCY1A1 (0.82) GUCY1A1GUCY1B1KCNH2PDE5ACYP2C9
SCHEMBL2446691 0.84 GUCY1A1 (0.61) GUCY1A1GUCY1B1KCNH2PDE5ACYP2C9
SCHEMBL2438767 0.84 GUCY1A1 (0.61) GUCY1A1GUCY1B1KCNH2PDE5ACYP2C9
SCHEMBL14481485 0.84 GUCY1A1 (0.64) GUCY1A1GUCY1B1KCNH2PDE5ACYP2C9
SCHEMBL2448251 0.83 GUCY1A1 (0.63) GUCY1A1GUCY1B1KCNH2PDE5ACYP2C9
SCHEMBL2455410 0.82 GUCY1A1 (0.63) GUCY1A1GUCY1B1KCNH2PDE5ACYP2C9
SCHEMBL2438739 0.81 GUCY1A1 (0.72) GUCY1A1GUCY1B1KCNH2PDE5A
SCHEMBL14481707 0.80 GUCY1A1 (0.62) GUCY1A1GUCY1B1KCNH2PDE5ACYP2C9
SCHEMBL14549781 0.79 GUCY1A1 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2549875-B1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME (US) 2015-05-13 EP claimed
WO-2011119518-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. (US) 2011-09-29 WO claimed