SCHEMBL4716583

SCHEMBL4716583

CCn1c(-c2nonc2N)nc2cncc(CNC3CCNC3)c21

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA5 O75582 19/20 0.90
ROCK1 Q13464 13/20 0.90
AKT1 P31749 12/20 0.90
AKT2 P31751 12/20 0.90
AKT3 Q9Y243 11/20 0.90
RPS6KA1 Q15418 6/20 0.90
DYRK1A Q13627 3/20 0.90
RPS6KB1 P23443 2/20 0.90
ROCK2 O75116 3/20 0.49
GSK3A P49840 3/20 0.49
CDK2 P24941 2/20 0.49
DAPK3 O43293 2/20 0.49
PRKD3 O94806 2/20 0.49
PIM1 P11309 2/20 0.49
PRKACA P17612 2/20 0.49
MARK3 P27448 2/20 0.49
CLK2 P49760 2/20 0.49
GSK3B P49841 2/20 0.49
PRKX P51817 2/20 0.49
PRKCQ Q04759 2/20 0.49

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
SCHEMBL4719834 0.95 RPS6KA5 (1.00) RPS6KA5ROCK1AKT1AKT2AKT3
Hydrochloric Acid SCHEMBL25220176 0.94 RPS6KA5 (0.98) RPS6KA5ROCK1AKT1AKT2AKT3
SCHEMBL4714419 0.84 RPS6KA5 (0.77) RPS6KA5ROCK1AKT1AKT2AKT3
SCHEMBL14252538 0.84 RPS6KA5 (0.75) RPS6KA5ROCK1AKT1AKT2AKT3
SCHEMBL4762992 0.83 RPS6KA5 (0.80) RPS6KA5ROCK1AKT1AKT2AKT3
SCHEMBL14252574 0.82 RPS6KA5 (0.91) RPS6KA5ROCK1AKT1AKT2AKT3
SCHEMBL4761491 0.82 RPS6KA5 (0.64) RPS6KA5ROCK1AKT1AKT2AKT3
Hydrochloric Acid SCHEMBL4715800 0.81 RPS6KA5 (0.89) RPS6KA5ROCK1AKT1AKT2AKT3
Hydrochloric Acid SCHEMBL6645116 0.81 RPS6KA5 (0.89) RPS6KA5ROCK1AKT1AKT2AKT3
Hydrochloric Acid SCHEMBL4716741 0.81 RPS6KA5 (0.89) RPS6KA5ROCK1AKT1AKT2AKT3

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