SCHEMBL7748911

SCHEMBL7748911

Fc1ccc(-c2nc(N3CCC(Cc4ccccc4)CC3)[nH]c2-c2ccncc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.54
MAPK13 O15264 8/20 0.54
MAPK12 P53778 8/20 0.54
MAPK11 Q15759 8/20 0.54
GCGR P47871 5/20 0.54
ALOX5 P09917 6/20 0.51
MAPK9 P45984 4/20 0.47
RAF1 P04049 3/20 0.47
CSNK1D P48730 4/20 0.46
CSNK1A1 P48729 2/20 0.46
PRKD3 O94806 1/20 0.46
MAP4K4 O95819 1/20 0.46
FRK P42685 1/20 0.46
GSK3B P49841 1/20 0.46
PTK6 Q13882 1/20 0.46
PRKD2 Q9BZL6 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
RPS6KA3 P51812 1/20 0.46
CSNK1E P49674 2/20 0.46

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
SCHEMBL8603742 0.79 MAPK13 (0.58) MAPK14MAPK13MAPK12MAPK11GCGR
Hydrochloric Acid SCHEMBL8606149 0.78 MAPK13 (0.57) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL4028230 0.77 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL5771859 0.76 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL1387719 0.74 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL4026933 0.73 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL1387891 0.73 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL8486606 0.71 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL8603171 0.71 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL20011845 0.70 ALDH1A1 (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1117082-C Substituted imidazoles having anti-cancer and cytokine inhibitory activity MERCK & CO INC (US) 2003-08-06 CN claimed
EP-0854870-A4 SUBSTITUTED IMIDAZOLES HAVING ANTI-CANCER AND CYTOKINE INHIBITORY ACTIVITY MERCK & CO INC (US) 1999-01-07 EP claimed
CN-1203590-A Substituted imidazoles having anti-cancer and cytokine inhibitory activity MERCK & CO INC (US) 1998-12-30 CN claimed
EP-0854870-A1 SUBSTITUTED IMIDAZOLES HAVING ANTI-CANCER AND CYTOKINE INHIBITORY ACTIVITY Merck & Co., Inc. (US) 1998-07-29 EP claimed
WO-1997012876-A9 SUBSTITUTED IMIDAZOLES HAVING ANTI-CANCER AND CYTOKINE INHIBITORY ACTIVITY 1997-09-18 WO claimed
WO-1997012876-A1 SUBSTITUTED IMIDAZOLES HAVING ANTI-CANCER AND CYTOKINE INHIBITORY ACTIVITY MERCK & CO., INC. (US) 1997-04-10 WO claimed
CN-1117082-C Substituted imidazoles having anti-cancer and cytokine inhibitory activity MERCK & CO INC (US) 2003-08-06 CN disclosed
EP-0906099-A4 A METHOD OF TREATING CANCER MERCK & CO INC (US) 2001-02-07 EP disclosed
US-6083949-A FOR TREATING CANCER IN WHICH RAF KINASE IS IMPLICATED, AS WELL AS COMPOUNDS WHICH INHIBIT, SUPPRESS OR ANTAGONIZE THE PRODUCTION OR ACTIVITY OF CYTOKINES SUCH AS INTERLEUKINS AND TUMOR NECROSIS FACTOR MERCK & CO., INC. (US) 2000-07-04 US disclosed
EP-0906099-A1 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 1999-04-07 EP disclosed
EP-0854870-A4 SUBSTITUTED IMIDAZOLES HAVING ANTI-CANCER AND CYTOKINE INHIBITORY ACTIVITY MERCK & CO INC (US) 1999-01-07 EP disclosed
CN-1203590-A Substituted imidazoles having anti-cancer and cytokine inhibitory activity MERCK & CO INC (US) 1998-12-30 CN disclosed
EP-0854870-A1 SUBSTITUTED IMIDAZOLES HAVING ANTI-CANCER AND CYTOKINE INHIBITORY ACTIVITY Merck & Co., Inc. (US) 1998-07-29 EP disclosed
WO-1997036587-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1997-10-09 WO disclosed
WO-1997012876-A9 SUBSTITUTED IMIDAZOLES HAVING ANTI-CANCER AND CYTOKINE INHIBITORY ACTIVITY 1997-09-18 WO disclosed
WO-1997012876-A1 SUBSTITUTED IMIDAZOLES HAVING ANTI-CANCER AND CYTOKINE INHIBITORY ACTIVITY MERCK & CO., INC. (US) 1997-04-10 WO disclosed