SCHEMBL13721898

SCHEMBL13721898

CCNC(=O)Nc1ccc(-c2sc3c(c2CN(C)CCN2CCCC2=O)c(=O)n(-c2ccc(F)cc2)c(=O)n3Cc2c(F)cccc2F)cc1

nearest known ligand 0.78

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 20/20 0.78

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
SCHEMBL4055110 0.98 GNRHR (0.75) GNRHR
SCHEMBL4054646 0.96 GNRHR (0.85) GNRHR
SCHEMBL13721596 0.92 GNRHR (0.79) GNRHR
SCHEMBL778220 0.92 GNRHR (0.92) GNRHR
SCHEMBL13721356 0.91 GNRHR (0.69) GNRHR
SCHEMBL13722044 0.91 GNRHR (0.74) GNRHR
SCHEMBL4062593 0.90 GNRHR (0.74) GNRHR
SCHEMBL4051791 0.90 GNRHR (0.72) GNRHR
SCHEMBL14747826 0.89 GNRHR (0.87) GNRHR
SCHEMBL13721632 0.88 GNRHR (0.75) 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 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