SCHEMBL4027276

SCHEMBL4027276

Fc1ccc(-c2nc(C3(Cc4ccccc4)CCNCC3)[nH]c2-c2ccncc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.56
MAPK13 O15264 8/20 0.56
MAPK12 P53778 8/20 0.56
MAPK11 Q15759 8/20 0.56
GCGR P47871 6/20 0.56
ALOX5 P09917 4/20 0.53
MAPK9 P45984 3/20 0.51
RAF1 P04049 2/20 0.51
CSNK1D P48730 3/20 0.48
PRKD3 O94806 1/20 0.48
MAP4K4 O95819 1/20 0.48
FRK P42685 1/20 0.48
CSNK1A1 P48729 1/20 0.48
GSK3B P49841 1/20 0.48
PTK6 Q13882 1/20 0.48
PRKD2 Q9BZL6 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48
CSNK1E P49674 2/20 0.47

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
SCHEMBL13810824 1.00 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL8654800 0.84 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL8446904 0.80 MAPK13 (0.57) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL4024940 0.78 MAPK14 (0.45) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL8155242 0.78 MAPK13 (0.48) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL4025346 0.77 MAPK14 (0.44) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL6600561 0.71 MAPK13 (0.56) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL5962480 0.71 MAPK13 (0.56) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL8486606 0.71 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL4467677 0.71 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11GCGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0854870-B1 SUBSTITUTED IMIDAZOLES HAVING ANTI-CANCER AND CYTOKINE INHIBITORY ACTIVITY MERCK & CO INC (US) 2009-06-10 EP claimed
EP-0854870-B1 SUBSTITUTED IMIDAZOLES HAVING ANTI-CANCER AND CYTOKINE INHIBITORY ACTIVITY MERCK & CO INC (US) 2009-06-10 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-0854870-A4 SUBSTITUTED IMIDAZOLES HAVING ANTI-CANCER AND CYTOKINE INHIBITORY ACTIVITY MERCK & CO INC (US) 1999-01-07 EP disclosed
EP-0854870-A1 SUBSTITUTED IMIDAZOLES HAVING ANTI-CANCER AND CYTOKINE INHIBITORY ACTIVITY Merck & Co., Inc. (US) 1998-07-29 EP disclosed
WO-1997012876-A1 SUBSTITUTED IMIDAZOLES HAVING ANTI-CANCER AND CYTOKINE INHIBITORY ACTIVITY MERCK & CO., INC. (US) 1997-04-10 WO disclosed