SCHEMBL4025331

SCHEMBL4025331

CC(=O)N1CCC(c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)CC1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 2/20 0.67
CSNK1D P48730 2/20 0.67
RPS6KA3 P51812 1/20 0.67
MAPK11 Q15759 12/20 0.67
MAPK14 Q16539 12/20 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
KCNH2 Q12809 1/20 0.65
ALOX5 P09917 3/20 0.48
TGFBR1 P36897 1/20 0.48
GCGR P47871 2/20 0.48
PRKD3 O94806 1/20 0.48
MAP4K4 O95819 1/20 0.48
FRK P42685 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

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
SCHEMBL4025214 1.00 CSNK1A1 (0.67) CSNK1A1CSNK1DRPS6KA3MAPK11MAPK14
SCHEMBL4026671 0.90 MAPK11 (0.68) CSNK1A1CSNK1DRPS6KA3MAPK11MAPK14
SCHEMBL4032460 0.89 MAPK11 (0.66) CSNK1A1CSNK1DRPS6KA3MAPK11MAPK14
SCHEMBL4024247 0.89 MAPK11 (0.66) CSNK1A1CSNK1DRPS6KA3MAPK11MAPK14
SCHEMBL8638666 0.87 CSNK1A1 (0.61) CSNK1A1CSNK1DRPS6KA3MAPK11MAPK14
SCHEMBL4584849 0.86 CSNK1A1 (0.60) CSNK1A1CSNK1DRPS6KA3MAPK11MAPK14
SCHEMBL4025352 0.86 CSNK1A1 (0.60) CSNK1A1CSNK1DRPS6KA3MAPK11MAPK14
SCHEMBL4024836 0.85 CSNK1A1 (0.74) CSNK1A1CSNK1DRPS6KA3MAPK11MAPK14
SCHEMBL1387706 0.84 CSNK1D (0.88) CSNK1A1CSNK1DRPS6KA3MAPK11MAPK14
SCHEMBL14174354 0.83 MAPK13 (0.74) CSNK1A1CSNK1DRPS6KA3MAPK11MAPK14

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 2 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