SCHEMBL4596460

SCHEMBL4596460

OCc1c[nH]c2nccc(-c3ccc(Br)nc3)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 10/20 0.42
ROCK2 O75116 3/20 0.38
ROCK1 Q13464 3/20 0.38
DYRK1B Q9Y463 2/20 0.38
CDC7 O00311 1/20 0.38
PLK4 O00444 1/20 0.38
CHEK1 O14757 1/20 0.38
MAPK13 O15264 1/20 0.38
PDPK1 O15530 1/20 0.38
DAPK3 O43293 1/20 0.38
DYRK3 O43781 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
ABL1 P00519 1/20 0.38
PRKCG P05129 1/20 0.38
CDK1 P06493 1/20 0.38
ROS1 P08922 1/20 0.38
PIM1 P11309 1/20 0.38
PHKG2 P15735 1/20 0.38
PRKACA P17612 1/20 0.38

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
SCHEMBL19925792 0.77 AXL (0.43) LRRK2ROCK2ROCK1DYRK1BCDC7
SCHEMBL4792269 0.68 LRRK2 (0.58) LRRK2ROCK2ROCK1DYRK1BPLK4
SCHEMBL4790325 0.67 LRRK2 (0.61) LRRK2ROCK2ROCK1DYRK1BPLK4
SCHEMBL4793527 0.66 LRRK2 (0.48) LRRK2ROCK2ROCK1DYRK1BCDC7
SCHEMBL4792632 0.65 LRRK2 (0.43) LRRK2ROCK2ROCK1DYRK1BCDC7
SCHEMBL27890843 0.64 LRRK2 (0.47) LRRK2ROCK2ROCK1DYRK1BCDC7
SCHEMBL2692623 0.64 PDGFRA (0.47) LRRK2MAP4K4CDK2KDRCDK9
SCHEMBL857300 0.64 LRRK2 (0.47) LRRK2ROCK1DYRK1BCHEK1DAPK3
SCHEMBL14462648 0.64 LRRK2 (0.61) LRRK2ROCK2ROCK1DYRK1BCDC7
SCHEMBL1266649 0.64 MET (0.65) LRRK2CDK2AXLGPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1885723-A2 PYRROLO[2,3-B]PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2008-02-13 EP disclosed
WO-2007013896-A2 PYRROL (2,3-B) PYRIDINE DERIVATIVES PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2007-02-01 WO disclosed