SCHEMBL4585478

SCHEMBL4585478

Cc1nc(N)cc(OC2CCN(C(=O)OC(C)(C)C)CC2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 13/20 0.52
CHEK2 O96017 1/20 0.46
KDM1A O60341 1/20 0.45
CACNB4 O00305 1/20 0.44
CACNA1A O00555 1/20 0.44
CACNA1G O43497 1/20 0.44
CACNG3 O60359 1/20 0.44
CACNA1F O60840 1/20 0.44
CACNA1H O95180 1/20 0.44
CACNB3 P54284 1/20 0.44
CACNA2D1 P54289 1/20 0.44
CACNG7 P62955 1/20 0.44
CACNA1B Q00975 1/20 0.44
CACNA1D Q01668 1/20 0.44
CACNB1 Q02641 1/20 0.44
CACNG1 Q06432 1/20 0.44
CACNB2 Q08289 1/20 0.44
CACNA1S Q13698 1/20 0.44
CACNA1C Q13936 1/20 0.44
CACNA1E Q15878 1/20 0.44

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
SCHEMBL27477692 0.88 GPR119 (0.52) GPR119CHEK2KDM1ACACNB4CACNA1A
SCHEMBL21606890 0.88 GPR119 (0.53) GPR119CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL4616893 0.87 GPR119 (0.55) GPR119
SCHEMBL1159689 0.82 GPR119 (0.56) GPR119
SCHEMBL23791363 0.81 PIK3CD (0.51) GPR119
SCHEMBL21607244 0.81 GPR119 (0.53) GPR119CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL4494369 0.80 GPR119 (0.55) GPR119CHEK2KDM1ACACNB4CACNA1A
SCHEMBL3180277 0.79 GPR119 (0.65) GPR119CHEK2KDM1ACACNB4CACNA1A
SCHEMBL17654170 0.79 GPR119 (0.65) GPR119CHEK2KDM1ACACNB4CACNA1A
SCHEMBL14138859 0.78 GPR119 (0.72) GPR119

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-1558609-A4 KINASE INHIBITORS MERCK & CO INC (US) 2008-05-28 EP disclosed
EP-1558609-A2 KINASE INHIBITORS Merck & Co., Inc. (US) 2005-08-03 EP disclosed
WO-2004041164-A2 KINASE INHIBITORS MERCK & CO., INC. (US) 2004-05-21 WO disclosed