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Sugi Predict / Compounds / SCHEMBL14747819

SCHEMBL14747819

SCHEMBL14747819

C=C(COc1ccc(-n2c(=O)c3c(CN(C)Cc4ccccn4)c(-c4ccc(NC(=O)NOC)cc4)sc3n(Cc3c(F)cccc3F)c2=O)cc1)NC

nearest known ligand 0.82

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ GNRHR P30968 20/20 0.82
▸ KCNH2 Q12809 1/20 0.69

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
SCHEMBL782176 0.94 GNRHR (0.84) GNRHRKCNH2
SCHEMBL778069 0.90 GNRHR (0.92) GNRHRKCNH2
SCHEMBL779746 0.90 GNRHR (1.00) GNRHR
SCHEMBL13721934 0.88 GNRHR (0.73) GNRHRKCNH2
SCHEMBL780496 0.88 GNRHR (0.92) GNRHRKCNH2
SCHEMBL777759 0.86 GNRHR (0.87) GNRHRKCNH2
SCHEMBL778447 0.86 GNRHR (0.93) GNRHRKCNH2
SCHEMBL779729 0.85 GNRHR (1.00) GNRHR
SCHEMBL778544 0.85 GNRHR (0.83) GNRHRKCNH2
SCHEMBL780108 0.85 GNRHR (0.92) GNRHR

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
EP-1591446-B1 Thienopyrimidine compounds and use thereof TAKEDA PHARMACEUTICAL (JP) 2013-03-06 — — EP disclosed