SCHEMBL28816318

SCHEMBL28816318

CC(C)(C)OC(=O)Nc1csc(C2=CCN(C(=O)O)CC2)n1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 4/20 0.47
▸ JAK1 P23458 1/20 0.39
▸ GRM1 Q13255 7/20 0.38
▸ GRM5 P41594 6/20 0.38
▸ NAMPT P43490 1/20 0.38
▸ FABP4 P15090 1/20 0.36
▸ FABP5 Q01469 1/20 0.36
▸ PDK4 Q16654 1/20 0.36
▸ BTK Q06187 1/20 0.36
▸ CDK7 P50613 1/20 0.35
▸ CDK13 Q14004 1/20 0.35
▸ CDK12 Q9NYV4 1/20 0.35
▸ CCNA2 P20248 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ CCNA1 P78396 1/20 0.35
▸ CDK5 Q00535 1/20 0.35
▸ CDK5R1 Q15078 1/20 0.35
▸ ACKR3 P25106 1/20 0.35

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
SCHEMBL23164876 0.92 GPR119 (0.55) GPR119JAK1GRM1GRM5NAMPT
SCHEMBL28816321 0.80 NAMPT (0.40) GPR119JAK1GRM1GRM5NAMPT
SCHEMBL21045911 0.74 GRM1 (0.42) JAK1GRM1GRM5NAMPTPDK4
SCHEMBL2358167 0.73 GPR119 (0.59) GPR119JAK1GRM1GRM5NAMPT
SCHEMBL31705807 0.73 GPR119 (0.56) GPR119JAK1GRM1GRM5NAMPT
SCHEMBL31705435 0.73 GPR119 (0.56) GPR119JAK1GRM1GRM5NAMPT
SCHEMBL31341012 0.72 CDK5 (0.57) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL30926321 0.72 GPR119 (0.61) GPR119JAK1GRM1GRM5NAMPT
SCHEMBL2357493 0.72 GPR119 (0.57) GPR119GRM1GRM5NAMPTPDK4
SCHEMBL23164675 0.71 NAMPT (0.49) GPR119JAK1GRM1GRM5NAMPT

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
CN-114761404-A Substituted bicyclic heteroaryl compounds 百时美施贵宝公司 2022-07-15 — — CN disclosed
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