SCHEMBL6946413

SCHEMBL6946413

Cc1cccc(C)c1Oc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)n1

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 4/20 0.84
MAPK11 Q15759 2/20 0.84
BRDT Q58F21 4/20 0.76
PRKD3 O94806 1/20 0.75
MAP4K4 O95819 1/20 0.75
HSPB1 P04792 1/20 0.75
PRKCB P05771 1/20 0.75
PRKCA P17252 1/20 0.75
PRKACA P17612 1/20 0.75
CSNK1A1 P48729 1/20 0.75
CSNK1D P48730 1/20 0.75
MINK1 Q8N4C8 1/20 0.75
MAP4K5 Q9Y4K4 1/20 0.75

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
SCHEMBL6948107 0.91 MAPK14 (1.00) MAPK14BRD4MAPK11BRDTPRKD3
SCHEMBL6950475 0.91 MAPK14 (1.00) MAPK14BRD4MAPK11BRDTPRKD3
SCHEMBL6950930 0.91 MAPK14 (0.82) MAPK14BRD4MAPK11BRDTPRKD3
SCHEMBL4915591 0.87 MAPK14 (1.00) MAPK14BRD4BRDT
SCHEMBL6943778 0.86 MAPK14 (1.00) MAPK14BRD4BRDT
SCHEMBL4912070 0.86 MAPK14 (1.00) MAPK14BRD4BRDT
SCHEMBL6943872 0.86 MAPK14 (1.00) MAPK14BRD4MAPK11BRDTPRKD3
SCHEMBL6950953 0.86 MAPK14 (1.00) MAPK14BRD4BRDT
SCHEMBL4911004 0.86 MAPK14 (1.00) MAPK14BRD4MAPK11BRDTPRKD3
SCHEMBL3300552 0.86 MAPK14 (1.00) MAPK14BRD4MAPK11BRDTPRKD3

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