SCHEMBL5820040

SCHEMBL5820040

CCOc1nc(NC(=O)Cc2cccc(N(C)C)c2)cc(N)c1C#N

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 20/20 0.78
MAPK9 P45984 17/20 0.78
RPS27 P42677 1/20 0.77
MAPK10 P53779 7/20 0.75
PRKD2 Q9BZL6 2/20 0.60
PRKD3 O94806 2/20 0.60
MAP4K4 O95819 1/20 0.60
MAP4K2 Q12851 1/20 0.60
PKN2 Q16513 1/20 0.60
STK17A Q9UEE5 1/20 0.60
RPS6KB1 P23443 1/20 0.59
CDK2 P24941 1/20 0.59
MAPK1 P28482 1/20 0.59
RPS6KB2 Q9UBS0 1/20 0.59

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
SCHEMBL1145006 0.90 MAPK8 (0.80) MAPK8MAPK9RPS27MAPK10PRKD2
SCHEMBL5818749 0.89 MAPK8 (0.84) MAPK8MAPK9RPS27MAPK10PRKD2
SCHEMBL1145342 0.88 MAPK8 (1.00) MAPK8MAPK9RPS27MAPK10PRKD2
SCHEMBL1145640 0.87 MAPK8 (1.00) MAPK8MAPK9RPS27MAPK10PRKD2
SCHEMBL1145045 0.87 MAPK8 (0.81) MAPK8MAPK9RPS27MAPK10PRKD2
SCHEMBL1145568 0.87 MAPK8 (0.81) MAPK8MAPK9RPS27MAPK10PRKD2
SCHEMBL1145468 0.87 MAPK8 (1.00) MAPK8MAPK9RPS27MAPK10PRKD2
SCHEMBL1145077 0.86 MAPK8 (1.00) MAPK8MAPK9RPS27MAPK10PRKD2
SCHEMBL1145565 0.84 MAPK8 (0.77) MAPK8MAPK9RPS27MAPK10PRKD2
SCHEMBL1145373 0.84 MAPK8 (0.81) MAPK8MAPK9RPS27MAPK10PRKD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006083673-A2 PYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF C-JUN N-TERMINAL KINASES ABBOTT LABORATORIES (US) 2006-08-10 WO disclosed