SCHEMBL6948035

SCHEMBL6948035

CC(C)(C)OC(=O)N1CCCCC1n1cnc(-c2ccc(F)cc2)c1-c1cc[nH]c(=S(=O)=O)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.41
MAPK14 Q16539 18/20 0.40
CSNK1D P48730 3/20 0.40
PRKD3 O94806 2/20 0.40
MAP4K4 O95819 2/20 0.40
PRKCA P17252 2/20 0.40
CSNK1A1 P48729 2/20 0.40
MINK1 Q8N4C8 2/20 0.40
MAP4K5 Q9Y4K4 2/20 0.40
MAPK13 O15264 2/20 0.40
EGFR P00533 2/20 0.40
MAPK12 P53778 2/20 0.40
MAPK11 Q15759 2/20 0.40
KDM4E B2RXH2 1/20 0.40
RAF1 P04049 1/20 0.40
CYP1A2 P05177 1/20 0.40
LCK P06239 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL6949291 0.89 TGFBR1 (0.42) TGFBR1MAPK14CSNK1DPRKD3MAP4K4
SCHEMBL7818989 0.80 CYP3A4 (0.38) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL7168832 0.79 MAPK14 (0.63) MAPK14BRD4BRDT
SCHEMBL6799621 0.79 MAPK14 (0.59) MAPK14CSNK1DPRKD3MAP4K4PRKCA
SCHEMBL6955184 0.78 MAPK14 (0.62) MAPK14BRD4BRDT
SCHEMBL6951373 0.78 MAPK14 (0.66) MAPK14BRD4BRDT
SCHEMBL6787715 0.78 MAPK14 (0.60) MAPK14CSNK1DPRKD3MAP4K4PRKCA
SCHEMBL6943768 0.78 MAPK14 (0.62) MAPK14BRD4BRDT
SCHEMBL6952383 0.78 MAPK14 (0.64) MAPK14BRD4BRDT
SCHEMBL6949073 0.77 MAPK14 (0.64) MAPK14BRD4BRDT

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-0996446-B1 NOVEL SUBSTITUTED IMIDAZOLE COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2003-09-17 EP disclosed
US-6562832-B1 Cytokine suppressive anti-inflammatory drugs, capable of inhibiting the CSBP/p38/RK kinase SMITHKLINE BEECHAM CORPORATION 2003-05-13 US disclosed
US-6046208-A TREATMENT OF RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, ENDOTOXEMIA AND/OR TOXIC SHOCK SYNDROME, OTHER ACUTE OR CHRONIC INFLAMMATORY DISEASE STATES SUCH AS THE INFLAMMATORY REACTION INDUCED BY ENDOTOXIN OR INFLAMMATORY BOWEL DISEASE SMITHKLINE BEECHAM CORPORATION (US) 2000-04-04 US disclosed