SCHEMBL6222004

SCHEMBL6222004

CSc1nc(-c2cccc(NC(=O)CNC(C)(C)CO)c2)c2c(N)c(C(=O)NC(C)(C)C)sc2n1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LHCGR P22888 17/20 0.68
FSHR P23945 5/20 0.68
TSHR P16473 2/20 0.65
BRAF P15056 1/20 0.48

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
SCHEMBL5026955 0.91 BRAF (0.57) LHCGRFSHRTSHRBRAF
SCHEMBL14285229 0.89 LHCGR (0.73) LHCGRFSHRTSHRBRAF
SCHEMBL6222712 0.89 LHCGR (0.69) LHCGRFSHRTSHR
SCHEMBL5028843 0.88 LHCGR (0.72) LHCGRFSHRTSHRBRAF
SCHEMBL6221420 0.87 LHCGR (0.69) LHCGRFSHRTSHR
SCHEMBL6221749 0.87 LHCGR (0.67) LHCGRFSHRTSHR
SCHEMBL6222798 0.86 LHCGR (0.51) LHCGRFSHRTSHRBRAF
SCHEMBL6218317 0.86 LHCGR (0.60) LHCGRFSHRTSHRBRAF
SCHEMBL5030864 0.85 LHCGR (0.68) LHCGRFSHRTSHRBRAF
SCHEMBL4425902 0.85 LHCGR (0.78) LHCGRFSHRTSHRBRAF

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-1427734-B1 GLYCINE-SUBSTITUTED THIENO[2,3-d]PYRIMIDINES WITH COMBINED LH AND FSH AGONISTIC ACTIVITY AKZO NOBEL NV (NL) 2005-11-09 EP claimed