SCHEMBL4718409

SCHEMBL4718409

CCC(CC)Cn1c(-c2nonc2N)nc2cnccc21

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RPS6KA5 O75582 16/20 0.77
RPS6KB1 P23443 3/20 0.77
ROCK1 Q13464 3/20 0.77
DYRK1A Q13627 2/20 0.77
CDK2 P24941 1/20 0.77
RPS6KA1 Q15418 1/20 0.77
PRKACA P17612 2/20 0.57
GSK3B P49841 2/20 0.57
HTT P42858 1/20 0.52
KCNK13 Q9HB14 1/20 0.52

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
SCHEMBL4717136 0.87 RPS6KA5 (1.00) RPS6KA5RPS6KB1ROCK1DYRK1ACDK2
SCHEMBL4715894 0.81 RPS6KA5 (0.83) RPS6KA5RPS6KB1ROCK1DYRK1ACDK2
SCHEMBL4809663 0.79 DYRK1A (0.74) RPS6KA5RPS6KB1ROCK1DYRK1ACDK2
SCHEMBL4719459 0.78 RPS6KA5 (1.00) RPS6KA5RPS6KB1ROCK1DYRK1ACDK2
SCHEMBL4718787 0.78 RPS6KB1 (0.73) RPS6KA5RPS6KB1ROCK1DYRK1ACDK2
SCHEMBL4717863 0.78 RPS6KA5 (1.00) RPS6KA5RPS6KB1ROCK1DYRK1ACDK2
Hydrochloric Acid SCHEMBL4719820 0.77 TSHR (0.74) RPS6KA5RPS6KB1ROCK1DYRK1ACDK2
SCHEMBL4714460 0.77 RPS6KA5 (1.00) RPS6KA5RPS6KB1ROCK1DYRK1ACDK2
SCHEMBL4716589 0.77 RPS6KA5 (0.78) RPS6KA5RPS6KB1ROCK1DYRK1ACDK2
SCHEMBL4714897 0.76 RPS6KB1 (0.69) RPS6KA5RPS6KB1ROCK1DYRK1ACDK2

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