SCHEMBL16626152

SCHEMBL16626152

CC(C)(C)OC(=O)n1ccnc1-c1nc(CO)c[nH]1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 1/20 0.34
BUB1 O43683 1/20 0.32
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
SCN3A Q9NY46 3/20 0.31
SCN4A P35499 2/20 0.31
JAK3 P52333 1/20 0.31
TNF P01375 1/20 0.30
NR1H2 P55055 1/20 0.30

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
SCHEMBL13527975 0.77 GPR119 (0.39) TNK2BUB1HSP90AA1HSP90AB1
SCHEMBL5389788 0.74 GPR119 (0.39) TNK2BUB1HSP90AA1HSP90AB1
SCHEMBL12449817 0.72 BUB1 (0.39) TNK2BUB1HSP90AA1HSP90AB1
SCHEMBL27464798 0.71 TNK2 (0.41) TNK2BUB1HSP90AA1HSP90AB1
SCHEMBL15020446 0.71 TNK2 (0.45) TNK2
SCHEMBL2329415 0.71 TNK2 (0.43) TNK2BUB1
SCHEMBL2725204 0.69 KCNK3 (0.40) TNK2BUB1HSP90AA1HSP90AB1NR1H2
SCHEMBL16626149 0.68 JAK3 (0.35) JAK3
SCHEMBL159835 0.67 GPR119 (0.38) TNK2BUB1HSP90AA1HSP90AB1
SCHEMBL30417286 0.67 TNK2 (0.38) TNK2HSP90AA1HSP90AB1NR1H2

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
US-9006316-B2 Organometallic compositions and coating compositions KING INDUSTRIES, INC. (US) 2015-04-14 US disclosed