SCHEMBL1760934

SCHEMBL1760934

COc1ncnc2sc(NC(=O)N3CCC(NCCOc4cccc(C(F)(F)F)c4)C3)nc12

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 12/20 0.43
ADORA2B P29275 12/20 0.43
ADORA1 P30542 11/20 0.43
MCHR1 Q99705 1/20 0.40
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
TEAD1 P28347 2/20 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
SCHEMBL12592885 1.00 ADORA2A (0.43) ADORA2AADORA2BADORA1MCHR1PIK3CD
SCHEMBL2929521 0.89 ADORA2A (0.38) ADORA2AADORA2BADORA1PIK3CD
SCHEMBL1760945 0.84 LMNA (0.47) ADORA2AADORA2BADORA1
SCHEMBL12592858 0.83 ADORA2B (0.51) ADORA2AADORA2BADORA1TEAD1
SCHEMBL1760886 0.81 ADORA2B (0.51) ADORA2AADORA2BADORA1
SCHEMBL1761037 0.81 ADORA2A (0.61) ADORA2AADORA2BADORA1
SCHEMBL1761027 0.79 ADORA2B (0.46) ADORA2AADORA2BADORA1
SCHEMBL1760967 0.79 PIK3CD (0.42) ADORA2AADORA2BADORA1PIK3CDPIK3CA
SCHEMBL12592897 0.79 PIK3CD (0.42) ADORA2AADORA2BADORA1PIK3CDPIK3CA
SCHEMBL1761064 0.78 ADORA2A (0.63) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7947692-B2 Substituted thiazolo[5,4-d]pyrimidine urea derivatives HOFFMANN-LA ROCHE INC. (US) 2011-05-24 US claimed
US-7947692-B2 Substituted thiazolo[5,4-d]pyrimidine urea derivatives HOFFMANN-LA ROCHE INC. (US) 2011-05-24 US disclosed