SCHEMBL3835555

SCHEMBL3835555

CC(C)Nc1cc2c(c(-c3cc4cc(CN5CCCCC5)ccc4n3C(=O)OC(C)(C)C)c1)C(=O)NC2

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.36
NR1H2 P55055 14/20 0.35
TBK1 Q9UHD2 2/20 0.35
PARP1 P09874 1/20 0.35
NR1H3 Q13133 1/20 0.33

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
SCHEMBL3835403 0.94 GPR119 (0.34) GPR119NR1H2TBK1PARP1NR1H3
SCHEMBL3855668 0.93 NR1H2 (0.35) GPR119NR1H2PARP1NR1H3
SCHEMBL3835632 0.90 PARP1 (0.40) NR1H2PARP1NR1H3
SCHEMBL3835025 0.90 PARP1 (0.40) NR1H2PARP1NR1H3
SCHEMBL3835557 0.90 GPR119 (0.40) GPR119NR1H2PARP1NR1H3
SCHEMBL3840010 0.89 NR1H2 (0.35) GPR119NR1H2TBK1PARP1NR1H3
SCHEMBL3839637 0.89 NR1H2 (0.36) NR1H2PARP1NR1H3
SCHEMBL3840847 0.89 PARP1 (0.36) GPR119NR1H2PARP1NR1H3
SCHEMBL3839225 0.89 PARP1 (0.37) NR1H2TBK1PARP1NR1H3
SCHEMBL3835267 0.88 NR1H2 (0.37) GPR119NR1H2PARP1NR1H3

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-2108642-A1 JAK INHIBITOR Kyowa Hakko Kirin Co., Ltd. (JP) 2009-10-14 EP disclosed