SCHEMBL6947142

SCHEMBL6947142

CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ccnc(Oc2ccccc2)n1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 20/20 0.64
MAPK13 O15264 1/20 0.53
MAPK12 P53778 1/20 0.53
MAPK11 Q15759 1/20 0.53
BRD4 O60885 2/20 0.52
BRDT Q58F21 2/20 0.52

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
SCHEMBL6949326 0.91 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11BRD4
SCHEMBL4987749 0.90 MAPK14 (0.58) MAPK14MAPK11BRD4BRDT
SCHEMBL4986365 0.90 MAPK14 (0.61) MAPK14MAPK11BRD4BRDT
SCHEMBL4985137 0.90 MAPK14 (0.61) MAPK14MAPK11BRD4BRDT
SCHEMBL4982773 0.90 MAPK14 (0.61) MAPK14MAPK11BRD4BRDT
SCHEMBL5619882 0.88 MAPK14 (0.59) MAPK14MAPK11BRD4BRDT
SCHEMBL4984681 0.87 MAPK14 (0.62) MAPK14
SCHEMBL4984673 0.85 MAPK14 (0.58) MAPK14BRD4BRDT
SCHEMBL4987897 0.85 MAPK14 (0.58) MAPK14BRD4BRDT
SCHEMBL4984676 0.85 MAPK14 (0.58) 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