SCHEMBL2928074

SCHEMBL2928074

COc1ncnc2sc(NC(=O)ON3CCC(S(=O)(=O)c4cccc(C(F)(F)F)c4)CC3)nc12

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 11/20 0.51
ADORA2B P29275 10/20 0.51
ADORA1 P30542 10/20 0.51
KCNQ1 P51787 1/20 0.40
CTSS P25774 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
ELOVL6 Q9H5J4 1/20 0.38
POLB P06746 2/20 0.36
SPR P35270 1/20 0.36
LPAR2 Q9HBW0 1/20 0.35

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
SCHEMBL1761064 0.89 ADORA2A (0.63) ADORA2AADORA2BADORA1KCNQ1CTSS
SCHEMBL2930871 0.86 ADORA2A (0.49) ADORA2AADORA2BADORA1
SCHEMBL2932239 0.84 LMNA (0.37) ADORA2AADORA2BADORA1KCNQ1
SCHEMBL2930544 0.84 GHSR (0.36) ADORA2AADORA1KCNQ1POLB
SCHEMBL3041508 0.83 PHGDH (0.47) ADORA2APOLB
SCHEMBL2932713 0.82 ADORA2A (0.49) ADORA2AADORA2BADORA1POLB
SCHEMBL2931382 0.82 ADORA2A (0.41) ADORA2AADORA2BADORA1
SCHEMBL2927982 0.81 ADORA2B (0.47) ADORA2AADORA2BADORA1
SCHEMBL2925314 0.80 ADORA2B (0.42) ADORA2AADORA2BADORA1
SCHEMBL2930106 0.80 ADORA2A (0.41) ADORA2AADORA2BADORA1

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