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Sugi Predict / Compounds / SCHEMBL2393665

SCHEMBL2393665

SCHEMBL2393665

CCCCc1c(C(=O)NCc2cncn2C(C)C(=O)O)cnn1-c1ncc(C)c(-c2cccs2)n1

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GPR142 Q7Z601 18/20 0.79
▸ CYP3A4 P08684 1/20 0.56
▸ UBE2M P61081 2/20 0.47
▸ DCUN1D1 Q96GG9 2/20 0.47

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
SCHEMBL2394766 0.87 GPR142 (1.00) GPR142CYP3A4UBE2MDCUN1D1
SCHEMBL2397268 0.86 GPR142 (0.84) GPR142CYP3A4UBE2MDCUN1D1
SCHEMBL15259781 0.85 GPR142 (0.87) GPR142CYP3A4UBE2MDCUN1D1
SCHEMBL2395081 0.85 GPR142 (0.81) GPR142CYP3A4UBE2MDCUN1D1
SCHEMBL2395039 0.84 GPR142 (0.91) GPR142CYP3A4
SCHEMBL2391336 0.84 GPR142 (1.00) GPR142CYP3A4UBE2MDCUN1D1
SCHEMBL2392838 0.83 GPR142 (1.00) GPR142CYP3A4UBE2MDCUN1D1
SCHEMBL2389200 0.83 GPR142 (0.78) GPR142CYP3A4UBE2MDCUN1D1
SCHEMBL2393620 0.82 GPR142 (0.81) GPR142CYP3A4UBE2MDCUN1D1
SCHEMBL2393262 0.82 GPR142 (0.78) GPR142CYP3A4UBE2MDCUN1D1

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
US-8022061-B2 5-(Methoxymethyl)-1-(5-methyl-4-(thiophen-2-yl)pyrimidin-2-yl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-4-carboxamide; for the treatment or prevention of type 2 diabetes and type 2 diabetes-related conditions AMGEN INC. (US) 2011-09-20 — — US disclosed