SCHEMBL3373531

SCHEMBL3373531

Cc1nc(-n2cncn2)ccc1NCc1ccc(OC2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.45
CHEK2 O96017 1/20 0.41
TP53 P04637 2/20 0.40
DNMT3A Q9Y6K1 1/20 0.38
ACHE P22303 1/20 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
SCHEMBL3373277 0.86 GPR119 (0.48) GPR119CHEK2TP53
SCHEMBL3373619 0.83 CHEK2 (0.47) GPR119CHEK2
SCHEMBL3343172 0.82 GPR119 (0.55) GPR119
SCHEMBL3376775 0.79 GPR119 (0.46) GPR119
SCHEMBL23410251 0.78 GPR119 (0.67) GPR119CHEK2
SCHEMBL2556388 0.74 GPR119 (0.63) GPR119CHEK2
SCHEMBL2556386 0.74 GPR119 (0.63) GPR119CHEK2
SCHEMBL3344227 0.74 GPR119 (0.53) GPR119
SCHEMBL3373283 0.73 GPR119 (0.54) GPR119
SCHEMBL21723242 0.73 GPR119 (0.51) GPR119CHEK2

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
WO-2010048149-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-04-29 WO disclosed