SCHEMBL5034074

SCHEMBL5034074

CSc1nc(-c2cccc(NC(=O)CNC(C)(C)C)c2)c2c(N)c(C(=O)NC(C)(C)C)ccc2n1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LHCGR P22888 10/20 0.51
FSHR P23945 2/20 0.51
TSHR P16473 2/20 0.47
MAP4K4 O95819 2/20 0.34
GAA P10253 1/20 0.34
LMNA P02545 2/20 0.34
ANO1 Q5XXA6 2/20 0.34
HPGD P15428 1/20 0.34
APOBEC3A P31941 1/20 0.34
HTT P42858 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
RGS12 O14924 1/20 0.33
PABPC1 P11940 1/20 0.33

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
SCHEMBL4425074 0.92 LHCGR (0.45) LHCGRFSHRTSHRMAP4K4
SCHEMBL4425812 0.92 LHCGR (0.49) LHCGRFSHRTSHRMAP4K4GAA
SCHEMBL4422167 0.85 LHCGR (0.55) LHCGRFSHRTSHRLMNA
SCHEMBL4430421 0.84 LHCGR (0.66) LHCGRFSHRTSHRLMNA
SCHEMBL4423875 0.81 LHCGR (0.69) LHCGRFSHRTSHR
SCHEMBL4422529 0.81 JAK3 (0.42) LHCGRFSHRTSHRMAP4K4LMNA
SCHEMBL6218317 0.78 LHCGR (0.60) LHCGRFSHRTSHR
SCHEMBL6222004 0.78 LHCGR (0.68) LHCGRFSHRTSHR
SCHEMBL4423532 0.76 MAP4K4 (0.51) MAP4K4LMNAHTT
SCHEMBL27502615 0.75 LHCGR (0.50) LHCGRFSHRTSHRMAP4K4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1886999-A2 Bicyclic heteroaromatic compound N.V. Organon (NL) 2008-02-13 EP disclosed
CN-1247594-C Bicyclic heteroaromatic compounds OKZO NOBEL N V (NL) 2006-03-29 CN disclosed
CN-1462273-A Bicyclic heteroaromatic compounds OKZO NOBEL N V (NL) 2003-12-17 CN disclosed