SCHEMBL4384580

SCHEMBL4384580

[CH2]CCNc1nc(Nc2cccc(CC(=O)N3CCC(N(C)C)CC3)c2)ncc1C1CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 4/20 0.51
ULK2 Q8IYT8 4/20 0.51
NTRK1 P04629 3/20 0.51
TBK1 Q9UHD2 13/20 0.49
MARK3 P27448 3/20 0.49
MARK4 Q96L34 3/20 0.49
STK17A Q9UEE5 3/20 0.49
IKBKE Q14164 2/20 0.49
NUAK1 O60285 1/20 0.49
PRKAA2 P54646 1/20 0.49
SIK1 P57059 1/20 0.49
PRKAA1 Q13131 1/20 0.49
MELK Q14680 1/20 0.49
PDK1 Q15118 1/20 0.49
MARK2 Q7KZI7 1/20 0.49
NUAK2 Q9H093 1/20 0.49
SIK2 Q9H0K1 1/20 0.49
MARK1 Q9P0L2 1/20 0.49
SIK3 Q9Y2K2 1/20 0.49
PDPK1 O15530 1/20 0.46

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
SCHEMBL3388216 0.92 ULK1 (0.52) ULK1ULK2NTRK1TBK1MARK3
SCHEMBL3388211 0.92 ULK1 (0.49) ULK1ULK2NTRK1TBK1MARK3
SCHEMBL13431879 0.88 TBK1 (0.68) ULK1ULK2TBK1MARK3MARK4
SCHEMBL3387230 0.81 IGF1R (0.52) ULK1ULK2NTRK1TBK1MARK3
SCHEMBL3387242 0.81 ULK1 (0.54) ULK1ULK2NTRK1TBK1MARK3
SCHEMBL3384238 0.79 NTRK1 (0.59) ULK1ULK2NTRK1TBK1MARK3
SCHEMBL3384234 0.79 NTRK1 (0.59) ULK1ULK2NTRK1TBK1MARK3
SCHEMBL13431877 0.77 TBK1 (0.71) ULK1ULK2TBK1MARK3MARK4
SCHEMBL3388970 0.76 NTRK1 (0.54) ULK1ULK2NTRK1TBK1MARK3
SCHEMBL3386206 0.76 NTRK1 (0.54) ULK1ULK2NTRK1TBK1MARK3

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