SCHEMBL3835848

SCHEMBL3835848

CN(C)Cc1cc2c(c(-c3cc4cc(NC(=O)OC(C)(C)C)ccc4n3C(=O)OC(C)(C)C)c1)C(=O)NC2

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.37
NR1H2 P55055 16/20 0.36
NR1H3 Q13133 1/20 0.35
NR1I3 Q14994 1/20 0.34
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34

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
SCHEMBL3840818 0.89 PARP1 (0.40) NR1H2NR1H3BRD4CREBBP
SCHEMBL3837068 0.87 GPR119 (0.38) GPR119NR1H2NR1H3
SCHEMBL3839418 0.86 NR1H2 (0.35) GPR119NR1H2NR1H3BRD4CREBBP
SCHEMBL3835054 0.85 NR1H2 (0.37) GPR119NR1H2NR1H3
SCHEMBL3839139 0.85 NR1H2 (0.38) NR1H2NR1H3BRD4CREBBP
SCHEMBL3840183 0.85 PARP1 (0.37) NR1H2NR1H3BRD4CREBBP
SCHEMBL3840586 0.85 NR1H2 (0.36) GPR119NR1H2NR1H3BRD4CREBBP
SCHEMBL3837190 0.84 NR1H2 (0.35) GPR119NR1H2NR1H3BRD4CREBBP
SCHEMBL3858581 0.84 NR1H2 (0.40) NR1H2NR1H3BRD4CREBBP
SCHEMBL3835247 0.84 PARP1 (0.37) GPR119NR1H2NR1H3BRD4CREBBP

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