SCHEMBL2325432

SCHEMBL2325432

CN1C(=O)C(C)(C)CN(C2CCCC2)c2nc(NCCc3ccc(Br)cc3)ncc21

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 17/20 0.44
BRD4 O60885 3/20 0.41
BRDT Q58F21 3/20 0.41
TTK P33981 3/20 0.39
ALK Q9UM73 1/20 0.35
MAPK7 Q13164 1/20 0.35
LRRK2 Q5S007 1/20 0.35
PLK4 O00444 1/20 0.35
GAK O14976 1/20 0.35
STK33 Q9BYT3 1/20 0.35
PLK3 Q9H4B4 1/20 0.35

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
SCHEMBL2325615 0.92 PLK1 (0.45) PLK1BRD4BRDTTTKALK
SCHEMBL2325152 0.91 PLK1 (0.44) PLK1BRD4BRDTTTK
SCHEMBL2325894 0.91 PLK1 (0.46) PLK1BRD4BRDTTTK
SCHEMBL2321921 0.91 PLK1 (0.45) PLK1BRD4BRDTTTKMAPK7
SCHEMBL2324931 0.90 PLK1 (0.45) PLK1BRD4BRDTTTK
SCHEMBL2326310 0.90 PLK1 (0.43) PLK1BRD4BRDTTTKMAPK7
SCHEMBL2321132 0.90 PLK1 (0.44) PLK1BRD4BRDTTTK
SCHEMBL2329486 0.89 PLK1 (0.42) PLK1BRD4BRDTPLK3
SCHEMBL2329792 0.89 PLK1 (0.42) PLK1BRD4BRDTTTK
SCHEMBL2327254 0.87 PLK1 (0.43) PLK1BRD4BRDTTTKPLK3

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-2356122-A1 PROTEIN KINASE INHIBITORS Vertex Pharmceuticals Incorporated (US) 2011-08-17 EP claimed
WO-2010008454-A1 PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-01-21 WO claimed