SCHEMBL1433650

SCHEMBL1433650

O=[C]n1nc(NC(=O)c2ccc(N3CCOCC3)cc2)c2sc(C(=O)N[C@H](CN3CCCC3)c3ccccc3)cc21

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 16/20 0.71
CDC7 O00311 1/20 0.71
CHEK1 O14757 1/20 0.71
JAK2 O60674 1/20 0.71
PAK4 O96013 1/20 0.71
NTRK1 P04629 1/20 0.71
PRKCB P05771 1/20 0.71
INSR P06213 1/20 0.71
RET P07949 1/20 0.71
KIT P10721 1/20 0.71
FGFR1 P11362 1/20 0.71
PRKACA P17612 1/20 0.71
FLT4 P35916 1/20 0.71
KDR P35968 1/20 0.71
JAK3 P52333 1/20 0.71
PDK1 Q15118 1/20 0.71
AURKB Q96GD4 1/20 0.71
STK26 Q9P289 1/20 0.71
AURKC Q9UQB9 1/20 0.71
MAPK1 P28482 1/20 0.42

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
SCHEMBL4328539 0.90 AURKA (0.73) AURKACDC7CHEK1JAK2PAK4
SCHEMBL1433941 0.87 AURKA (0.69) AURKACDC7CHEK1JAK2PAK4
SCHEMBL1433576 0.86 AURKA (0.68) AURKACDC7CHEK1JAK2PAK4
SCHEMBL1434073 0.86 AURKA (0.68) AURKACDC7CHEK1JAK2PAK4
SCHEMBL1433639 0.85 AURKA (0.67) AURKACDC7CHEK1JAK2PAK4
SCHEMBL1434017 0.85 AURKA (0.69) AURKACDC7CHEK1JAK2PAK4
SCHEMBL1433891 0.85 AURKA (0.64) AURKACDC7CHEK1JAK2PAK4
SCHEMBL1895752 0.85 AURKA (0.66) AURKACDC7CHEK1JAK2PAK4
SCHEMBL1433403 0.85 AURKA (0.66) AURKACDC7CHEK1JAK2PAK4
SCHEMBL1433553 0.85 AURKA (0.66) AURKACDC7CHEK1JAK2PAK4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2300436-A1 CARBAMOYL DERIVATIVES OF BICYCLIC CARBONYLAMINO-PYRAZOLES AS PRODRUGS Nerviano Medical Sciences S.r.l. (IT) 2011-03-30 EP disclosed
WO-2009138440-A1 CARBAMOYL DERIVATIVES OF BICYCLIC CARBONYLAMINO-PYRAZOLES AS PRODRUGS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-11-19 WO disclosed