SCHEMBL2930508

SCHEMBL2930508

COc1ncnc2sc(NC(=O)ON3CCN(Cc4cc(Cl)cc(Cl)c4)CC3)nc12

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 4/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LPAR2 Q9HBW0 1/20 0.33
HCAR1 Q9BXC0 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
SCHEMBL2930809 0.92 LMNA (0.40) ADORA3ADORA2AADORA1
SCHEMBL3049811 0.92 MEN1 (0.42) ADORA2ALPAR2
SCHEMBL2930506 0.90 GPR6 (0.38) GPR6
SCHEMBL2929411 0.89 ADORA2A (0.41) ADORA3ADORA2AADORA1SMN1; SMN2
SCHEMBL2924971 0.89 CCR3 (0.40) SMN1; SMN2LPAR2HCAR1
SCHEMBL2932276 0.88 CYP2D6 (0.41) ADORA2AADORA1
SCHEMBL1760990 0.88 PKM (0.41) SMN1; SMN2
SCHEMBL2932137 0.88 CCR3 (0.42) GPR6HCAR1
SCHEMBL2930557 0.88 HTT (0.38) ADORA3ADORA2AADORA1SMN1; SMN2
SCHEMBL2932222 0.86 KDM4E (0.38) GPR6ADORA3ADORA2AADORA1SMN1; SMN2

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