SCHEMBL4718787

SCHEMBL4718787

Nc1nonc1-c1nc2cnccc2n1CC1CC1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 3/20 0.73
ROCK1 Q13464 3/20 0.73
PRKACA P17612 2/20 0.73
GSK3B P49841 2/20 0.73
DYRK1A Q13627 2/20 0.72
RPS6KA5 O75582 15/20 0.71
CDK2 P24941 1/20 0.71
RPS6KA1 Q15418 1/20 0.71
KCNK13 Q9HB14 1/20 0.53

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
SCHEMBL4714897 0.94 RPS6KB1 (0.69) RPS6KB1ROCK1PRKACAGSK3BDYRK1A
SCHEMBL14252550 0.92 RPS6KA5 (0.69) RPS6KB1ROCK1PRKACAGSK3BDYRK1A
SCHEMBL1901437 0.84 RPS6KB1 (1.00) RPS6KB1ROCK1PRKACAGSK3BRPS6KA5
SCHEMBL4717136 0.83 RPS6KA5 (1.00) RPS6KB1ROCK1PRKACAGSK3BDYRK1A
SCHEMBL6402982 0.80 RPS6KB1 (1.00) RPS6KB1ROCK1PRKACAGSK3BRPS6KA5
SCHEMBL4809663 0.80 DYRK1A (0.74) RPS6KB1ROCK1PRKACAGSK3BDYRK1A
SCHEMBL4718814 0.80 RPS6KA5 (1.00) RPS6KB1ROCK1PRKACAGSK3BDYRK1A
SCHEMBL4719459 0.79 RPS6KA5 (1.00) RPS6KB1ROCK1DYRK1ARPS6KA5CDK2
SCHEMBL4718409 0.78 RPS6KA5 (0.77) RPS6KB1ROCK1PRKACAGSK3BDYRK1A
Hydrochloric Acid SCHEMBL4719820 0.78 TSHR (0.74) RPS6KB1ROCK1DYRK1ARPS6KA5CDK2

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