SCHEMBL13873249

SCHEMBL13873249

CNC(=O)c1ccccc1Nc1nc(Nc2ccc(NC(C)=O)cc2)ncc1N=O

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.56
PTK2 Q05397 12/20 0.55
HDAC3 O15379 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
ULK1 O75385 2/20 0.53
PKMYT1 Q99640 2/20 0.53
MAPK8 P45983 1/20 0.53
MAPK9 P45984 1/20 0.53
MAPK10 P53779 1/20 0.53
INSR P06213 1/20 0.53
IGF1R P08069 1/20 0.53
PTK2B Q14289 1/20 0.53
SLC2A1 P11166 1/20 0.52
MET P08581 1/20 0.50
ALK Q9UM73 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 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
SCHEMBL13809932 0.89 PLK1 (0.70) PLK1PTK2HDAC3HDAC1HDAC2
SCHEMBL13872996 0.82 PLK1 (0.51) PLK1MAPK8MAPK9MAPK10PTK2B
SCHEMBL13866466 0.82 PLK1 (0.81) PLK1PTK2HDAC3HDAC1HDAC2
Hydrochloric Acid SCHEMBL3814491 0.82 PLK1 (0.80) PLK1PTK2HDAC3HDAC1HDAC2
SCHEMBL28612718 0.77 PTK2 (0.81) PTK2MEN1KMT2A
SCHEMBL4025643 0.76 MAPK8 (0.68) PLK1MAPK8MAPK9MAPK10IGF1R
SCHEMBL13873266 0.76 KDM4E (0.49) PLK1PTK2HDAC1PTK2BMEN1
SCHEMBL22144557 0.76 ULK1 (0.81) PTK2HDAC3HDAC1HDAC2HDAC6
Hydrochloric Acid SCHEMBL3812109 0.75 MAPK8 (0.67) PLK1MAPK8MAPK9MAPK10IGF1R
SCHEMBL18357332 0.74 PTK2 (0.61) PTK2ULK1PKMYT1MAPK8MAPK9

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
US-7514446-B2 Pyrimidine compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-04-07 US disclosed