SCHEMBL4028779

SCHEMBL4028779

CN1CCCC(c2nc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)C1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.71
MAPK11 Q15759 8/20 0.71
MAPK13 O15264 6/20 0.71
MAPK12 P53778 6/20 0.71
MAPK9 P45984 4/20 0.71
RAF1 P04049 3/20 0.71
CSNK1A1 P48729 2/20 0.65
CSNK1D P48730 2/20 0.65
RPS6KA3 P51812 1/20 0.65
ALOX5 P09917 1/20 0.52
PRKD3 O94806 1/20 0.49
MAP4K4 O95819 1/20 0.49
FRK P42685 1/20 0.49
GCGR P47871 1/20 0.49
GSK3B P49841 1/20 0.49
PTK6 Q13882 1/20 0.49
PRKD2 Q9BZL6 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
BRAF P15056 1/20 0.48
CYP2D6 P10635 3/20 0.48

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
SCHEMBL4024836 0.86 CSNK1A1 (0.74) MAPK14MAPK11MAPK13MAPK12MAPK9
SCHEMBL4032460 0.85 MAPK11 (0.66) MAPK14MAPK11MAPK13MAPK12MAPK9
SCHEMBL4024247 0.85 MAPK11 (0.66) MAPK14MAPK11MAPK13MAPK12MAPK9
SCHEMBL19868972 0.85 MAPK14 (0.97) MAPK14MAPK11MAPK13MAPK12MAPK9
SCHEMBL4030967 0.84 MAPK11 (0.67) MAPK14MAPK11MAPK13MAPK12MAPK9
SCHEMBL19869014 0.84 MAPK14 (1.00) MAPK14MAPK11MAPK13MAPK12MAPK9
SCHEMBL1387706 0.82 CSNK1D (0.88) MAPK14MAPK11MAPK13MAPK12MAPK9
SCHEMBL4028406 0.81 MAPK14 (0.59) MAPK14MAPK11MAPK13MAPK12MAPK9
SCHEMBL14174354 0.80 MAPK13 (0.74) MAPK14MAPK11MAPK13MAPK12MAPK9
SCHEMBL4026775 0.79 CSNK1A1 (0.70) MAPK14MAPK11MAPK13MAPK12MAPK9

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 18 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
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-A1 SUBSTITUTED IMIDAZOLES HAVING ANTI-CANCER AND CYTOKINE INHIBITORY ACTIVITY MERCK & CO., INC. (US) 1997-04-10 WO claimed
EP-0854870-B1 SUBSTITUTED IMIDAZOLES HAVING ANTI-CANCER AND CYTOKINE INHIBITORY ACTIVITY MERCK & CO INC (US) 2009-06-10 EP disclosed
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
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