SCHEMBL4060099

SCHEMBL4060099

CN1C(=O)NCC1CCCNc1nc(Cl)ncc1C1CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 17/20 0.39
IKBKE Q14164 3/20 0.39
CDK2 P24941 2/20 0.39
MARK3 P27448 2/20 0.39
BRSK2 Q8IWQ3 2/20 0.39
AURKB Q96GD4 2/20 0.39
MKNK1 Q9BUB5 2/20 0.39
ULK1 O75385 2/20 0.35
ULK2 Q8IYT8 2/20 0.35
STK17A Q9UEE5 2/20 0.35
STK17B O94768 1/20 0.35
LRRK2 Q5S007 1/20 0.33
ULK3 Q6PHR2 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33

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
SCHEMBL4055333 0.78 TBK1 (0.59) TBK1IKBKECDK2MARK3BRSK2
SCHEMBL3389341 0.77 TBK1 (0.40) TBK1IKBKECDK2MARK3BRSK2
SCHEMBL13460158 0.73 TBK1 (0.43) TBK1IKBKECDK2MARK3BRSK2
SCHEMBL3387171 0.73 STK17A (0.42) TBK1IKBKECDK2MARK3BRSK2
SCHEMBL30800587 0.73 TBK1 (0.44) TBK1IKBKECDK2MARK3BRSK2
SCHEMBL27087784 0.73 TBK1 (0.44) TBK1IKBKECDK2MARK3BRSK2
SCHEMBL29989291 0.73 TBK1 (0.43) TBK1IKBKECDK2MARK3BRSK2
SCHEMBL3387252 0.72 ALDH1A1 (0.48) TBK1IKBKECDK2MARK3BRSK2
SCHEMBL3386145 0.72 TBK1 (0.39) TBK1IKBKECDK2MARK3BRSK2
SCHEMBL22648366 0.72 TBK1 (0.39) TBK1IKBKECDK2MARK3BRSK2

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-2009122180-A1 PYRIMIDINE DERIVATIVES CAPABLE OF INHIBITING ONE OR MORE KINASES MEDICAL RESEARCH COUNCIL (GB) 2009-10-08 WO disclosed