SCHEMBL479685

SCHEMBL479685

COC(=O)c1ccc2c(c1)NC(=O)/C2=C\CCNc1ccc(N(CCCN(C)C)C(C)=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 4/20 0.37
AURKB Q96GD4 3/20 0.37
DAPK3 O43293 1/20 0.37
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37
PAK4 O96013 1/20 0.37
ABL1 P00519 1/20 0.37
LCK P06239 1/20 0.37
RET P07949 1/20 0.37
MET P08581 1/20 0.37
PDGFRB P09619 1/20 0.37
PIM1 P11309 1/20 0.37
PDGFRA P16234 1/20 0.37
FLT1 P17948 1/20 0.37
LTK P29376 1/20 0.37
KDR P35968 1/20 0.37
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37
GSK3A P49840 1/20 0.37
CDK9 P50750 1/20 0.37

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
SCHEMBL479774 0.96 CHEK1 (0.36) CHEK1AURKBDAPK3PRKD3MAP4K4
SCHEMBL3709540 0.93 LMNA (0.38) CHEK1AURKBDAPK3PRKD3MAP4K4
SCHEMBL479369 0.92 AURKA (0.37) CHEK1AURKBDAPK3PRKD3MAP4K4
SCHEMBL479345 0.89 LMNA (0.40) CHEK1AURKBDAPK3PRKD3MAP4K4
SCHEMBL479687 0.87 TGM2 (0.34) AURKBPDGFRBPDPK1AURKARAF1
SCHEMBL2573040 0.86 SRC (0.38) CHEK1AURKBDAPK3PRKD3MAP4K4
SCHEMBL479357 0.86 SRC (0.38) CHEK1AURKBDAPK3PRKD3MAP4K4
SCHEMBL479775 0.84 TGM2 (0.33) AURKBPDGFRBPDGFRAKDRPDPK1
SCHEMBL16752524 0.83 AURKA (0.38) CHEK1AURKBPDGFRBPDGFRAPDPK1
SCHEMBL16752525 0.83 AURKA (0.38) CHEK1AURKBPDGFRBPDGFRAPDPK1

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-2411034-A1 PROMOTION OF NEURONAL INTEGRATION IN NEURAL STEM CELL GRAFTS Life & Brain GmbH (DE) 2012-02-01 EP disclosed
WO-2010108665-A1 PROMOTION OF NEURONAL INTEGRATION IN NEURAL STEM CELL GRAFTS LIFE & BRAIN GMBH (DE) 2010-09-30 WO disclosed