SCHEMBL4714845

SCHEMBL4714845

CCn1c(-c2nonc2N)nc2cncc(-c3cccc(CN4CCCC4)c3)c21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA5 O75582 16/20 0.66
ROCK1 Q13464 11/20 0.49
DYRK1A Q13627 3/20 0.49
RPS6KA1 Q15418 3/20 0.49
RPS6KB1 P23443 3/20 0.49
CDK2 P24941 2/20 0.49
AKT1 P31749 9/20 0.48
AKT2 P31751 9/20 0.48
AKT3 Q9Y243 9/20 0.48
ROCK2 O75116 2/20 0.46
GSK3A P49840 2/20 0.46
PRKACA P17612 2/20 0.46
GSK3B P49841 2/20 0.46
DAPK3 O43293 1/20 0.46
PRKD3 O94806 1/20 0.46
PIM1 P11309 1/20 0.46
MARK3 P27448 1/20 0.46
GRK5 P34947 1/20 0.46
CDK8 P49336 1/20 0.46
CLK2 P49760 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
SCHEMBL4718838 0.89 RPS6KA5 (0.70) RPS6KA5ROCK1DYRK1ARPS6KA1RPS6KB1
SCHEMBL4826725 0.87 RPS6KA5 (0.59) RPS6KA5ROCK1DYRK1ARPS6KA1RPS6KB1
Hydrochloric Acid SCHEMBL4718591 0.86 RPS6KA5 (0.57) RPS6KA5ROCK1DYRK1ARPS6KA1RPS6KB1
SCHEMBL4717407 0.85 RPS6KA5 (0.56) RPS6KA5ROCK1DYRK1ARPS6KA1RPS6KB1
SCHEMBL4715729 0.85 RPS6KA5 (0.69) RPS6KA5ROCK1DYRK1ARPS6KA1RPS6KB1
SCHEMBL4716134 0.85 RPS6KA5 (0.69) RPS6KA5ROCK1DYRK1ARPS6KA1RPS6KB1
SCHEMBL4714480 0.84 RPS6KA5 (0.62) RPS6KA5ROCK1DYRK1ARPS6KA1RPS6KB1
SCHEMBL4716087 0.84 RPS6KA5 (0.55) RPS6KA5ROCK1DYRK1ARPS6KA1RPS6KB1
Hydrochloric Acid SCHEMBL4717601 0.84 RPS6KA5 (0.68) RPS6KA5ROCK1DYRK1ARPS6KA1RPS6KB1
Hydrochloric Acid SCHEMBL4719810 0.84 RPS6KA5 (0.68) RPS6KA5ROCK1DYRK1ARPS6KA1RPS6KB1

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
EP-1490367-B1 IMIDAZOPYRIDINE DERIVATIVES AS KINASE INHIBITORS GLAXO GROUP LTD (GB) 2008-07-23 EP disclosed