SCHEMBL4587083

SCHEMBL4587083

Fc1ccc(-c2nc(C3CCNCC3)[nH]c2-c2ccncc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 12/20 1.00
MAPK14 Q16539 12/20 1.00
MAPK13 O15264 11/20 1.00
MAPK12 P53778 11/20 1.00
MAPK9 P45984 4/20 1.00
RAF1 P04049 3/20 1.00
CSNK1A1 P48729 2/20 0.76
CSNK1D P48730 2/20 0.76
RPS6KA3 P51812 1/20 0.76
BRAF P15056 3/20 0.59
GCGR P47871 7/20 0.57
PRKD3 O94806 1/20 0.57
MAP4K4 O95819 1/20 0.57
FRK P42685 1/20 0.57
GSK3B P49841 1/20 0.57
PTK6 Q13882 1/20 0.57
PRKD2 Q9BZL6 1/20 0.57
CLK4 Q9HAZ1 1/20 0.57
ALOX5 P09917 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
SCHEMBL4024638 1.00 MAPK11 (1.00) MAPK11MAPK14MAPK13MAPK12MAPK9
SCHEMBL1387706 0.92 CSNK1D (0.88) MAPK11MAPK14MAPK13MAPK12MAPK9
SCHEMBL19868972 0.90 MAPK14 (0.97) MAPK11MAPK14MAPK13MAPK12MAPK9
SCHEMBL19869014 0.88 MAPK14 (1.00) MAPK11MAPK14MAPK13MAPK12MAPK9
SCHEMBL19869015 0.86 MAPK13 (0.77) MAPK11MAPK14MAPK13MAPK12MAPK9
SCHEMBL4026830 0.85 MAPK14 (1.00) MAPK11MAPK14MAPK13MAPK12MAPK9
SCHEMBL9857456 0.85 CSNK1A1 (0.75) MAPK11MAPK14MAPK13MAPK12MAPK9
Hydrochloric Acid SCHEMBL4032200 0.84 MAPK14 (0.98) MAPK11MAPK14MAPK13MAPK12MAPK9
SCHEMBL14174354 0.84 MAPK13 (0.74) MAPK11MAPK14MAPK13MAPK12MAPK9
SCHEMBL4024836 0.84 CSNK1A1 (0.74) MAPK11MAPK14MAPK13MAPK12MAPK9

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0809499-A4 CERTAIN 1,4,5-TRI-SUBSTITUTED IMIDAZOLE COMPOUNDS USEFUL AS CYTOKINE SMITHKLINE BEECHAM CORP (US) 1998-10-14 EP claimed
EP-0809499-A1 CERTAIN 1,4,5-TRI-SUBSTITUTED IMIDAZOLE COMPOUNDS USEFUL AS CYTOKINE SMITHKLINE BEECHAM CORPORATION (US) 1997-12-03 EP claimed
WO-1996021452-A1 CERTAIN 1,4,5-TRI-SUBSTITUTED IMIDAZOLE COMPOUNDS USEFUL AS CYTOKINE SMITHKLINE BEECHAM CORPORATION (US) 1996-07-18 WO claimed
EP-1545535-A4 TREATMENT OF PAIN BY INHIBITION OF P38 MAP KINASE SCIOS INC (US) 2008-06-04 EP disclosed
EP-1583535-A4 METHODS FOR TREATING DIABETES SCIOS INC (US) 2008-03-19 EP disclosed
EP-1583535-A2 METHODS FOR TREATING DIABETES SCIOS INC. (US) 2005-10-12 EP disclosed
EP-1545535-A2 TREATMENT OF PAIN BY INHIBITION OF P38 MAP KINASE SCIOS INC. (US) 2005-06-29 EP disclosed
WO-2004053107-A2 METHODS FOR TREATING DIABETES SCIOS INC. (US) 2004-06-24 WO disclosed
WO-2004024083-A2 METHODS OF BONE HEALING UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2004-03-25 WO disclosed
WO-2004021988-A2 TREATMENT OF PAIN BY INHIBITION OF P38 MAP KINASE SCIOS INC. (US) 2004-03-18 WO disclosed
EP-1196167-A4 METHOD OF REDUCING NEURONAL INJURY OR APOPTOSIS LIPTON STUART A (US) 2003-05-02 EP disclosed
EP-1196167-A1 METHOD OF REDUCING NEURONAL INJURY OR APOPTOSIS Lipton, Stuart A. (US) 2002-04-17 EP disclosed
EP-1076560-A1 INHIBITION OF PROTEIN KINASES WITH PIRIDINYLIMIDAZOLES SMITHKLINE BEECHAM PLC (GB) 2001-02-21 EP disclosed
WO-2001001986-A1 METHOD OF REDUCING NEURONAL INJURY OR APOPTOSIS LIPTON STUART A (US) 2001-01-11 WO disclosed
WO-1999058128-A1 INHIBITION OF PROTEIN KINASES WITH PIRIDINYLIMIDAZOLES SMITHKLINE BEECHAM PLC (GB) 1999-11-18 WO disclosed