SCHEMBL4781816

SCHEMBL4781816

CCN1C(=O)N(C)c2cnc(Nc3cc(NC(C)=O)ccc3Cl)nc2N1C1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 13/20 0.56
PLK3 Q9H4B4 12/20 0.56
IGF1R P08069 4/20 0.45
PLK2 Q9NYY3 9/20 0.43
PIP4K2A P48426 1/20 0.43
PIP4K2B P78356 1/20 0.43
MAPK7 Q13164 1/20 0.42
DYRK1A Q13627 1/20 0.42
ALK Q9UM73 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
PRKCG P05129 1/20 0.40
CLK2 P49760 1/20 0.40
RPS6KA3 P51812 1/20 0.40
NEK4 P51957 1/20 0.40
PTK2 Q05397 1/20 0.40
CAMK2G Q13555 1/20 0.40
CAMK2D Q13557 1/20 0.40
SRPK1 Q96SB4 1/20 0.40
PRKD2 Q9BZL6 1/20 0.40

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
SCHEMBL4782583 0.87 PLK1 (0.55) PLK1PLK3PLK2PIP4K2APIP4K2B
SCHEMBL4783645 0.86 PLK1 (0.56) PLK1PLK3PLK2PIP4K2APIP4K2B
SCHEMBL4783877 0.85 PLK1 (0.58) PLK1PLK3PLK2MAPK7DYRK1A
SCHEMBL4784785 0.85 PLK1 (0.61) PLK1PLK3IGF1RPLK2MAPK7
SCHEMBL4781914 0.83 PLK1 (0.52) PLK1PLK3PLK2PIP4K2APIP4K2B
SCHEMBL4781788 0.81 PLK1 (0.60) PLK1PLK3PLK2PIP4K2APIP4K2B
SCHEMBL4784278 0.81 PLK1 (0.58) PLK1PLK3PLK2PIP4K2APIP4K2B
SCHEMBL4844864 0.81 PLK1 (0.52) PLK1PLK3PLK2PIP4K2APIP4K2B
SCHEMBL4781984 0.81 PLK1 (0.56) PLK1PLK3PLK2PIP4K2APIP4K2B
SCHEMBL4779878 0.80 PLK1 (0.54) PLK1PLK3PLK2PIP4K2APIP4K2B

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
WO-2008040951-A1 COMPOUNDS ASTRAZENECA AB (SE) 2008-04-10 WO disclosed