SCHEMBL6222798

SCHEMBL6222798

CC(C)(C)NC(=O)c1sc2nc(-c3ccncc3)nc(-c3cccc(NC(=O)CNC(C)(C)CO)c3)c2c1N

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LHCGR P22888 7/20 0.51
FSHR P23945 2/20 0.51
BRAF P15056 11/20 0.48
TSHR P16473 2/20 0.48
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
CHRM4 P08173 1/20 0.36

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
SCHEMBL5030984 0.92 BRAF (0.57) LHCGRFSHRBRAFPDE4APDE4B
SCHEMBL5026187 0.88 LHCGR (0.52) LHCGRFSHRBRAFTSHRCHRM4
SCHEMBL6223594 0.88 LHCGR (0.49) LHCGRFSHRBRAFTSHRPDE4A
SCHEMBL6222004 0.86 LHCGR (0.68) LHCGRFSHRBRAFTSHR
SCHEMBL5028901 0.83 LHCGR (0.54) LHCGRFSHRBRAFTSHRCHRM4
SCHEMBL5028895 0.83 LHCGR (0.54) LHCGRFSHRBRAFTSHRPDE4A
SCHEMBL5024674 0.82 LHCGR (0.59) LHCGRFSHRBRAFTSHRPDE4A
SCHEMBL6220667 0.82 LHCGR (0.53) LHCGRFSHRBRAFTSHR
SCHEMBL4426367 0.79 LHCGR (0.55) LHCGRFSHRBRAFTSHRCHRM4
SCHEMBL6224284 0.79 LHCGR (0.50) LHCGRFSHRBRAFTSHR

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