SCHEMBL4030967

SCHEMBL4030967

O=C(O)N1CCCC(c2nc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)C1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 11/20 0.67
MAPK14 Q16539 11/20 0.67
MAPK13 O15264 10/20 0.67
MAPK12 P53778 10/20 0.67
MAPK9 P45984 4/20 0.67
RAF1 P04049 3/20 0.67
CSNK1A1 P48729 2/20 0.59
CSNK1D P48730 2/20 0.59
RPS6KA3 P51812 1/20 0.59
ALOX5 P09917 2/20 0.49
TGFBR1 P36897 1/20 0.49
GCGR P47871 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

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
SCHEMBL4024247 0.91 MAPK11 (0.66) MAPK11MAPK14MAPK13MAPK12MAPK9
SCHEMBL4032460 0.91 MAPK11 (0.66) MAPK11MAPK14MAPK13MAPK12MAPK9
SCHEMBL4026671 0.89 MAPK11 (0.68) MAPK11MAPK14MAPK13MAPK12MAPK9
SCHEMBL4028406 0.86 MAPK14 (0.59) MAPK11MAPK14MAPK13MAPK12MAPK9
SCHEMBL4028779 0.84 MAPK14 (0.71) MAPK11MAPK14MAPK13MAPK12MAPK9
SCHEMBL19868972 0.82 MAPK14 (0.97) MAPK11MAPK14MAPK13MAPK12MAPK9
SCHEMBL4025331 0.81 CSNK1A1 (0.67) MAPK11MAPK14MAPK13MAPK12MAPK9
SCHEMBL4025214 0.81 CSNK1A1 (0.67) MAPK11MAPK14MAPK13MAPK12MAPK9
SCHEMBL19869014 0.81 MAPK14 (1.00) MAPK11MAPK14MAPK13MAPK12MAPK9
SCHEMBL4028673 0.80 MAPK14 (0.56) 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 8 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
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
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-A1 SUBSTITUTED IMIDAZOLES HAVING ANTI-CANCER AND CYTOKINE INHIBITORY ACTIVITY MERCK & CO., INC. (US) 1997-04-10 WO disclosed