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SCHEMBL27925569

SCHEMBL27925569

CC(OC(=O)C1(C(=O)O)CC1)c1cnc(-c2nn(Cc3ccccc3F)c3ncc(F)cc23)nc1N

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GUCY1A1 Q02108 2/20 0.52
▸ GUCY1B1 Q02153 2/20 0.52
▸ PDE5A O76074 16/20 0.49
▸ ADORA3 P0DMS8 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44

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
SCHEMBL27925580 0.91 PDE5A (0.51) GUCY1A1GUCY1B1PDE5A
SCHEMBL27907473 0.91 ADORA3 (0.56) GUCY1A1GUCY1B1PDE5AADORA3KCNH2
SCHEMBL27907477 0.82 PDE5A (0.52) GUCY1A1GUCY1B1PDE5AADORA3KCNH2
SCHEMBL12468045 0.82 GUCY1A1 (0.53) GUCY1A1GUCY1B1PDE5AADORA3KCNH2
SCHEMBL29859454 0.79 GUCY1A1 (0.55) GUCY1A1GUCY1B1PDE5AADORA3KCNH2
SCHEMBL28808978 0.79 GUCY1A1 (0.55) GUCY1A1GUCY1B1PDE5AADORA3KCNH2
SCHEMBL9914175 0.79 PDE5A (0.55) GUCY1A1GUCY1B1PDE5AADORA3KCNH2
SCHEMBL173468 0.78 GUCY1A1 (0.54) GUCY1A1GUCY1B1PDE5AADORA3KCNH2
SCHEMBL16945957 0.77 GUCY1A1 (0.54) GUCY1A1GUCY1B1PDE5AADORA3KCNH2
SCHEMBL12468047 0.77 GUCY1A1 (0.54) GUCY1A1GUCY1B1PDE5AADORA3KCNH2

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-103097387-A Ring-fused pyrimidines and triazines and use thereof for treating and/or preventing cardiovascular diseases BAYER IP GMBH 2013-05-08 — — CN disclosed