SCHEMBL4129044

SCHEMBL4129044

CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(N(C(N)=O)c4ccccc4)c3)cc21

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 12/20 0.74
RPS6KA5 O75582 10/20 0.55
RPS6KB1 P23443 3/20 0.55
PRKACA P17612 2/20 0.55
GSK3B P49841 2/20 0.55
CDK2 P24941 2/20 0.55
RPS6KA1 Q15418 2/20 0.55
CDC7 O00311 1/20 0.55
PLK4 O00444 1/20 0.55
AURKA O14965 1/20 0.55
DAPK3 O43293 1/20 0.55
ROCK2 O75116 1/20 0.55
PRKD3 O94806 1/20 0.55
PRKCG P05129 1/20 0.55
LCK P06239 1/20 0.55
PIM1 P11309 1/20 0.55
MARK3 P27448 1/20 0.55
AKT1 P31749 1/20 0.55
AKT2 P31751 1/20 0.55
FLT4 P35916 1/20 0.55

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
SCHEMBL4117733 0.91 ROCK1 (0.74) ROCK1RPS6KA5RPS6KB1PRKACAGSK3B
SCHEMBL5007596 0.89 ROCK1 (0.70) ROCK1RPS6KA5RPS6KB1PRKACAGSK3B
SCHEMBL4007830 0.87 ROCK1 (0.77) ROCK1RPS6KA5RPS6KB1PRKACAGSK3B
SCHEMBL4001678 0.87 ROCK1 (0.80) ROCK1RPS6KA5RPS6KB1PRKACAGSK3B
SCHEMBL4719379 0.86 ROCK1 (1.00) ROCK1RPS6KA5RPS6KB1PRKACAGSK3B
SCHEMBL4008323 0.85 ROCK1 (0.87) ROCK1RPS6KA5RPS6KB1PRKACAGSK3B
SCHEMBL4000963 0.84 ROCK1 (0.89) ROCK1RPS6KA5RPS6KB1PRKACAGSK3B
SCHEMBL4000983 0.84 ROCK1 (0.89) ROCK1RPS6KA5RPS6KB1PRKACAGSK3B
SCHEMBL3997341 0.84 ROCK1 (0.76) ROCK1RPS6KA5RPS6KB1PRKACAGSK3B
SCHEMBL4008585 0.84 ROCK1 (1.00) ROCK1RPS6KA5RPS6KB1PRKACAGSK3B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1675552-A4 PREPERATION OF 1,6-DISUBSTITUTED AZABENZIMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LTD (GB) 2009-06-03 EP disclosed
EP-1675552-A2 PREPERATION OF 1,6-DISUBSTITUTED AZABENZIMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2006-07-05 EP disclosed
WO-2005037197-A2 PREPERATION OF 1,6-DISUBSTITUTED AZABENZIMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-04-28 WO disclosed