SCHEMBL2932134

SCHEMBL2932134

COc1ncnc2sc(NC(=O)ON3CCN(Cc4ccc(C(F)(F)F)nc4)CC3)nc12

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.42
KCNH2 Q12809 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
PIK3CG P48736 1/20 0.36
OPRM1 P35372 1/20 0.35
PPARA Q07869 1/20 0.35
GPR6 P46095 1/20 0.35
PRKAB2 O43741 1/20 0.34
PRKAG1 P54619 1/20 0.34
PRKAA2 P54646 1/20 0.34
PRKAA1 Q13131 1/20 0.34
PRKAG3 Q9UGI9 1/20 0.34
PRKAG2 Q9UGJ0 1/20 0.34
PRKAB1 Q9Y478 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3R1 P27986 1/20 0.34

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
SCHEMBL1761042 0.89 PPARD (0.43) PPARDPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL2932276 0.87 CYP2D6 (0.41)
SCHEMBL2927299 0.87 PIK3CG (0.36) PIK3CGPIK3CDPIK3R1
SCHEMBL2931742 0.86 MEN1 (0.38) GPR6
SCHEMBL2931482 0.86 MEN1 (0.39) GPR6PIK3CD
SCHEMBL2930809 0.86 LMNA (0.40)
SCHEMBL2927982 0.85 ADORA2B (0.47) KCNH2
SCHEMBL2929411 0.85 ADORA2A (0.41)
SCHEMBL2929672 0.85 KCNH2 (0.36) KCNH2PIK3CGPIK3CDPIK3R1
SCHEMBL2930619 0.84 WNT3A (0.46) PIK3CGPIK3CD

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-2027132-B1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-09-15 EP claimed