SCHEMBL13175809

SCHEMBL13175809

CN1C(=O)C(C)(C)CN(C2CCCC2)c2nc(Nc3ccc(N/C=N\C=N)cc3)ncc21

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 13/20 0.51
STK4 Q13043 4/20 0.43
MARK3 P27448 2/20 0.42
MARK4 Q96L34 1/20 0.42
PLK3 Q9H4B4 2/20 0.41
PLK2 Q9NYY3 2/20 0.41
MAPK7 Q13164 1/20 0.41
DYRK1A Q13627 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
BRD4 O60885 1/20 0.41
BRDT Q58F21 1/20 0.41
TTK P33981 1/20 0.41

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
SCHEMBL2396059 0.84 PLK1 (0.59) PLK1STK4MARK3MARK4PLK3
SCHEMBL2396937 0.84 MARK3 (0.59) PLK1STK4MARK3MARK4PLK3
SCHEMBL2395781 0.82 PLK1 (0.59) PLK1STK4MARK3MARK4PLK3
SCHEMBL1202832 0.82 PLK1 (0.63) PLK1STK4MARK3MARK4MAPK7
SCHEMBL2398574 0.81 PLK1 (0.52) PLK1STK4MARK3MARK4PLK3
SCHEMBL2395325 0.80 PLK1 (0.66) PLK1PLK3PLK2MAPK7DYRK1A
SCHEMBL2398556 0.80 PLK1 (0.59) PLK1MARK3MARK4CCNE1CDK2
SCHEMBL2399284 0.80 PLK1 (0.53) PLK1STK4MARK3MARK4PLK3
SCHEMBL2397642 0.80 PLK1 (0.54) PLK1CCNE1CDK2TTK
SCHEMBL2394298 0.79 PLK1 (0.58) PLK1STK4MARK3MAPK7DYRK1A

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-1983987-B1 DIHYDRODIAZEPINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2010-09-01 EP disclosed