SCHEMBL8549534

SCHEMBL8549534

CSc1nccc(-c2[nH]c(C3CCN(C(=O)OC(C)(C)C)CC3)nc2-c2ccc(F)cc2)n1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.50
CSNK1D P48730 3/20 0.50
JAK3 P52333 2/20 0.50
MAPK13 O15264 3/20 0.43
MAPK12 P53778 3/20 0.43
MAPK11 Q15759 3/20 0.43
HPGDS O60760 1/20 0.42
GRIA1 P42261 1/20 0.42
JAK2 O60674 1/20 0.41
PTK2 Q05397 1/20 0.41
ENPP2 Q13822 1/20 0.41
CSNK1A1 P48729 1/20 0.40
RPS6KA3 P51812 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
HTT P42858 1/20 0.40
GPR119 Q8TDV5 1/20 0.40
RAF1 P04049 1/20 0.39
MAPK9 P45984 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
SCHEMBL8554729 0.85 MAPK13 (0.43) MAPK14CSNK1DJAK3MAPK13MAPK12
SCHEMBL4585443 0.83 MAPK14 (0.57) MAPK14CSNK1DJAK3MAPK13MAPK12
SCHEMBL4025352 0.83 CSNK1A1 (0.60) MAPK14CSNK1DMAPK13MAPK12MAPK11
SCHEMBL4584849 0.83 CSNK1A1 (0.60) MAPK14CSNK1DMAPK13MAPK12MAPK11
SCHEMBL6950701 0.82 MAPK14 (0.60) MAPK14CSNK1DJAK3MAPK13MAPK12
SCHEMBL4585060 0.82 MAPK14 (0.60) MAPK14CSNK1DJAK3MAPK13MAPK12
SCHEMBL5819178 0.82 EGFR (0.46) ENPP2
SCHEMBL8551836 0.82 CSNK1A1 (0.46) MAPK14CSNK1DMAPK13MAPK12MAPK11
SCHEMBL4583956 0.80 MAPK14 (0.57) MAPK14CSNK1DJAK3MAPK13MAPK12
SCHEMBL4584925 0.80 MAPK14 (0.61) MAPK14CSNK1DJAK3MAPK13MAPK12

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