SCHEMBL6225588

SCHEMBL6225588

CCNc1nc(-c2cccc(NC(=O)CNCC(=O)OC)c2)c2c(N)c(C(=O)NC(C)(C)C)sc2n1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LHCGR P22888 8/20 0.55
FSHR P23945 2/20 0.55
TSHR P16473 2/20 0.51
BRAF P15056 10/20 0.48
PDE4A P27815 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL6221309 0.91 LHCGR (0.52) LHCGRFSHRTSHRBRAFPDE4A
SCHEMBL5028890 0.90 BRAF (0.58) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL6220667 0.88 LHCGR (0.53) LHCGRFSHRTSHRBRAFMEN1
SCHEMBL6221420 0.87 LHCGR (0.69) LHCGRFSHRTSHR
SCHEMBL5026188 0.86 LHCGR (0.51) LHCGRFSHRTSHRBRAFPDE4A
SCHEMBL6227679 0.85 LHCGR (0.49) LHCGRFSHRTSHRBRAFMEN1
SCHEMBL6221999 0.84 LHCGR (0.51) LHCGRFSHRTSHRBRAFPDE4A
SCHEMBL6224121 0.84 LHCGR (0.51) LHCGRFSHRTSHRBRAFMEN1
SCHEMBL5030898 0.81 BRAF (0.53) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL5030974 0.77 LHCGR (0.53) LHCGRFSHRTSHRBRAFPDE4A

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