SCHEMBL6946459

SCHEMBL6946459

Cc1ccc(Oc2nccc(-c3c(Oc4ccc(F)cc4)ncn3C3CCNCC3)n2)c(C)c1

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 0.79
BRD4 O60885 5/20 0.69
BRDT Q58F21 4/20 0.69
MAPK11 Q15759 2/20 0.62

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
Trifluoroacetic Acid SCHEMBL6949238 0.93 MAPK14 (0.69) MAPK14BRD4BRDTMAPK11
SCHEMBL8181767 0.90 MAPK14 (0.80) MAPK14BRD4BRDT
SCHEMBL3300552 0.88 MAPK14 (1.00) MAPK14BRD4BRDTMAPK11
SCHEMBL6943872 0.83 MAPK14 (1.00) MAPK14BRD4BRDTMAPK11
SCHEMBL8178626 0.83 MAPK14 (0.81) MAPK14BRD4BRDT
SCHEMBL7815820 0.82 MAPK14 (0.91) MAPK14BRD4BRDTMAPK11
SCHEMBL6943778 0.82 MAPK14 (1.00) MAPK14BRD4BRDT
SCHEMBL6943923 0.79 MAPK14 (1.00) MAPK14BRD4BRDT
SCHEMBL6950475 0.79 MAPK14 (1.00) MAPK14BRD4BRDTMAPK11
SCHEMBL4915591 0.79 MAPK14 (1.00) 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 5 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 claimed
US-6562832-B1 Cytokine suppressive anti-inflammatory drugs, capable of inhibiting the CSBP/p38/RK kinase SMITHKLINE BEECHAM CORPORATION 2003-05-13 US claimed
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