SCHEMBL8554729

SCHEMBL8554729

C[S+]([O-])c1nccc(-c2[nH]c(C3CCN(C(=O)OC(C)(C)C)CC3)nc2-c2ccc(F)cc2)n1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 2/20 0.43
MAPK12 P53778 2/20 0.43
MAPK11 Q15759 2/20 0.43
MAPK14 Q16539 2/20 0.43
HPGDS O60760 1/20 0.41
GRIA1 P42261 1/20 0.41
POLB P06746 1/20 0.40
GPR119 Q8TDV5 2/20 0.39
CSNK1A1 P48729 1/20 0.39
CSNK1D P48730 1/20 0.39
RPS6KA3 P51812 1/20 0.39
MMP13 P45452 1/20 0.39
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39
PTK2 Q05397 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL8549534 0.85 MAPK14 (0.50) MAPK13MAPK12MAPK11MAPK14HPGDS
SCHEMBL5819403 0.82 EGFR (0.43)
SCHEMBL4584849 0.81 CSNK1A1 (0.60) MAPK13MAPK12MAPK11MAPK14HPGDS
SCHEMBL4025352 0.81 CSNK1A1 (0.60) MAPK13MAPK12MAPK11MAPK14HPGDS
SCHEMBL8551836 0.80 CSNK1A1 (0.46) MAPK13MAPK12MAPK11MAPK14HPGDS
SCHEMBL6578498 0.80 MAPK14 (0.61) MAPK13MAPK12MAPK11MAPK14CSNK1A1
SCHEMBL5817684 0.79 GPR119 (0.40) MAPK14GRIA1GPR119MMP13
SCHEMBL4585245 0.79 MAPK11 (0.40) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5817608 0.78 CDK2 (0.43) GRIA1CSNK1A1CSNK1DMMP13HTT
SCHEMBL26914072 0.77 GPR119 (0.47) POLBGPR119HTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0831830-A4 IMIDAZOLE COMPOUNDS SMITHKLINE BEECHAM CORP (US) 1998-12-02 EP disclosed
EP-0831830-A1 IMIDAZOLE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1998-04-01 EP disclosed
WO-1996040143-A1 IMIDAZOLE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1996-12-19 WO disclosed