SCHEMBL6943872

SCHEMBL6943872

Cc1ccc(C)c(Oc2nccc(-c3c(-c4ccc(F)cc4)ncn3C3CCNCC3)n2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 1.00
BRD4 O60885 5/20 0.86
BRDT Q58F21 4/20 0.79
MAPK11 Q15759 2/20 0.79
PRKD3 O94806 1/20 0.73
MAP4K4 O95819 1/20 0.73
HSPB1 P04792 1/20 0.73
PRKCB P05771 1/20 0.73
PRKCA P17252 1/20 0.73
PRKACA P17612 1/20 0.73
CSNK1A1 P48729 1/20 0.73
CSNK1D P48730 1/20 0.73
MINK1 Q8N4C8 1/20 0.73
MAP4K5 Q9Y4K4 1/20 0.73

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
SCHEMBL7815820 0.95 MAPK14 (0.91) MAPK14BRD4BRDTMAPK11
SCHEMBL3300552 0.95 MAPK14 (1.00) MAPK14BRD4BRDTMAPK11PRKD3
Trifluoroacetic Acid SCHEMBL6948788 0.93 MAPK14 (0.87) MAPK14BRD4BRDTMAPK11
SCHEMBL6950475 0.91 MAPK14 (1.00) MAPK14BRD4BRDTMAPK11PRKD3
SCHEMBL6943778 0.89 MAPK14 (1.00) MAPK14BRD4BRDT
SCHEMBL6950953 0.88 MAPK14 (1.00) MAPK14BRD4BRDT
SCHEMBL6948107 0.88 MAPK14 (1.00) MAPK14BRD4BRDTMAPK11PRKD3
SCHEMBL6943923 0.88 MAPK14 (1.00) MAPK14BRD4BRDT
SCHEMBL4915397 0.86 MAPK14 (1.00) MAPK14BRD4BRDTMAPK11PRKD3
SCHEMBL6946413 0.86 MAPK14 (1.00) MAPK14BRD4BRDTMAPK11PRKD3

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