SCHEMBL5804061

SCHEMBL5804061

CCOc1nc(C(=O)NCCc2ccccc2)cc(N)c1C#N

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 19/20 0.81
MAPK9 P45984 13/20 0.81
MAPK10 P53779 7/20 0.81
RPS27 P42677 5/20 0.81
PRKD2 Q9BZL6 6/20 0.68
CSF1R P07333 5/20 0.68
MAPK1 P28482 5/20 0.68
ROCK2 O75116 3/20 0.68
CSNK1D P48730 3/20 0.68
AKT1 P31749 3/20 0.67
CSNK2A1 P68400 1/20 0.67
NTRK2 Q16620 1/20 0.67
PLK3 Q9H4B4 1/20 0.67
PRKD3 O94806 3/20 0.64
DYRK3 O43781 2/20 0.64
RPS6KB1 P23443 2/20 0.64
MAP4K2 Q12851 2/20 0.64
KIT P10721 1/20 0.64
BLK P51451 1/20 0.64
TYRO3 Q06418 1/20 0.64

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
SCHEMBL13514275 0.93 MAPK8 (0.77) MAPK8MAPK9MAPK10RPS27PRKD2
SCHEMBL13514290 0.91 MAPK8 (0.81) MAPK8MAPK9MAPK10RPS27PRKD2
SCHEMBL13514089 0.90 MAPK8 (0.66) MAPK8MAPK9MAPK10RPS27PRKD2
SCHEMBL1145860 0.90 MAPK8 (1.00) MAPK8MAPK9MAPK10RPS27PRKD2
SCHEMBL13514401 0.89 MAPK8 (0.83) MAPK8MAPK9MAPK10RPS27PRKD2
SCHEMBL1145506 0.88 MAPK8 (0.83) MAPK8MAPK9MAPK10RPS27PRKD2
SCHEMBL13514141 0.87 MAPK8 (0.68) MAPK8MAPK9MAPK10RPS27PRKD2
SCHEMBL13514405 0.87 MAPK8 (0.73) MAPK8MAPK9MAPK10RPS27PRKD2
SCHEMBL13514093 0.86 MAPK8 (0.70) MAPK8MAPK9MAPK10RPS27PRKD2
SCHEMBL13514161 0.86 MAPK8 (0.64) MAPK8MAPK9MAPK10RPS27PRKD2

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 claimed