SCHEMBL13722601

SCHEMBL13722601

CCNC(=O)Nc1ccc(-c2sc3c(c2CN(C)CCOC)c(=O)n(-c2cccnn2)c(=O)n3Cc2c(F)cccc2F)cc1

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 20/20 0.75
KCNH2 Q12809 6/20 0.75

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
SCHEMBL13721951 0.94 GNRHR (0.76) GNRHRKCNH2
SCHEMBL779817 0.94 GNRHR (0.85) GNRHRKCNH2
SCHEMBL4050993 0.92 GNRHR (0.88) GNRHRKCNH2
SCHEMBL13722212 0.91 GNRHR (0.88) GNRHRKCNH2
SCHEMBL4060004 0.91 GNRHR (0.73) GNRHRKCNH2
SCHEMBL4050418 0.91 GNRHR (0.75) GNRHRKCNH2
SCHEMBL4052408 0.91 GNRHR (0.81) GNRHRKCNH2
SCHEMBL4053448 0.90 GNRHR (0.87) GNRHRKCNH2
SCHEMBL4052495 0.90 GNRHR (0.86) GNRHRKCNH2
SCHEMBL4061766 0.89 GNRHR (0.87) GNRHRKCNH2

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
US-7569570-B2 Thienopyrimidines, process for preparing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-08-04 US disclosed
US-7569570-B2 Thienopyrimidines, process for preparing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-08-04 US disclosed