SCHEMBL4028230

SCHEMBL4028230

O=C(O)N1CCC(Cc2ccccc2)CC1c1nc(-c2ccc(F)cc2)c(-c2ccncc2)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.48
MAPK13 O15264 11/20 0.48
MAPK12 P53778 11/20 0.48
MAPK11 Q15759 11/20 0.48
RAF1 P04049 3/20 0.48
MAPK9 P45984 3/20 0.48
GCGR P47871 3/20 0.47
CSNK1A1 P48729 1/20 0.46
CSNK1D P48730 1/20 0.46
RPS6KA3 P51812 1/20 0.46
ALOX5 P09917 4/20 0.44
GSK3B P49841 3/20 0.43
GSK3A P49840 2/20 0.43
TGFBR1 P36897 1/20 0.43

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
SCHEMBL4029509 0.89 CSNK1A1 (0.43) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL7748911 0.77 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL5771859 0.75 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL8603171 0.75 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4026671 0.74 MAPK11 (0.68) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4026933 0.73 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL1387891 0.73 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL8603194 0.73 MAPK11 (0.61) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL8604215 0.72 CSNK1A1 (0.53) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4030967 0.71 MAPK11 (0.67) MAPK14MAPK13MAPK12MAPK11RAF1

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 disclosed
CN-1117082-C Substituted imidazoles having anti-cancer and cytokine inhibitory activity MERCK & CO INC (US) 2003-08-06 CN 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