SCHEMBL4424291

SCHEMBL4424291

O=C(NCCN1CCOCC1)c1cccc(Oc2cc3c(cn2)nc(-c2nonc2[AsH2])n3-c2ccc(F)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 4/20 0.49
CDC7 O00311 1/20 0.49
PLK4 O00444 1/20 0.49
AURKA O14965 1/20 0.49
DAPK3 O43293 1/20 0.49
ROCK2 O75116 1/20 0.49
RPS6KA5 O75582 1/20 0.49
PRKD3 O94806 1/20 0.49
PRKCG P05129 1/20 0.49
LCK P06239 1/20 0.49
PIM1 P11309 1/20 0.49
PRKACA P17612 1/20 0.49
RPS6KB1 P23443 1/20 0.49
CDK2 P24941 1/20 0.49
MARK3 P27448 1/20 0.49
AKT1 P31749 1/20 0.49
AKT2 P31751 1/20 0.49
FLT4 P35916 1/20 0.49
FLT3 P36888 1/20 0.49
PRKCI P41743 1/20 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
SCHEMBL4002575 0.92 ROCK1 (0.58) ROCK1CDC7PLK4AURKADAPK3
SCHEMBL4003307 0.86 ROCK1 (0.57) ROCK1CDC7PLK4AURKADAPK3
SCHEMBL3998363 0.86 ROCK1 (0.58) ROCK1CDC7PLK4AURKADAPK3
SCHEMBL4001569 0.85 ROCK1 (0.56) ROCK1CDC7PLK4AURKADAPK3
SCHEMBL4001897 0.83 ROCK1 (0.57) ROCK1CDC7PLK4AURKADAPK3
SCHEMBL4000924 0.82 ROCK1 (0.57) ROCK1CDC7PLK4AURKADAPK3
SCHEMBL4001789 0.82 ROCK1 (0.52) ROCK1CDC7PLK4AURKADAPK3
SCHEMBL4006778 0.81 ROCK1 (0.58) ROCK1CDC7PLK4AURKADAPK3
SCHEMBL4007977 0.81 ROCK1 (0.56) ROCK1CDC7PLK4AURKADAPK3
SCHEMBL4001573 0.80 ROCK1 (0.57) ROCK1CDC7PLK4AURKADAPK3

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