SCHEMBL479415

SCHEMBL479415

COC(=O)c1ccc2c(c1)NC(=O)/C2=C/Nc1ccc(N(C)C(=O)CN(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.41
RAF1 P04049 1/20 0.41
PDPK1 O15530 1/20 0.39
AURKB Q96GD4 6/20 0.38
FLT3 P36888 3/20 0.38
AAK1 Q2M2I8 1/20 0.38
KMT2A Q03164 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
CSF1R P07333 3/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
TGM2 P21980 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CASP1 P29466 1/20 0.35
PDGFRB P09619 1/20 0.35
CHEK1 O14757 1/20 0.34

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
SCHEMBL2563861 1.00 AURKA (0.41) AURKARAF1PDPK1AURKBFLT3
SCHEMBL479417 1.00 AURKA (0.41) AURKARAF1PDPK1AURKBFLT3
SCHEMBL3153364 0.93 ALDH1A1 (0.43) AURKBFLT3KMT2ACSF1RALDH1A1
SCHEMBL480621 0.93 ALDH1A1 (0.43) AURKBFLT3KMT2ACSF1RALDH1A1
SCHEMBL479748 0.87 AURKA (0.41) AURKARAF1PDPK1AURKBFLT3
SCHEMBL16752524 0.85 AURKA (0.38) AURKARAF1PDPK1AURKBFLT3
SCHEMBL16752525 0.85 AURKA (0.38) AURKARAF1PDPK1AURKBFLT3
SCHEMBL3675849 0.84 AAK1 (0.56) AURKARAF1PDPK1FLT3AAK1
SCHEMBL3675845 0.84 AAK1 (0.56) AURKARAF1PDPK1FLT3AAK1
SCHEMBL2121225 0.84 PSEN1 (0.42) AURKARAF1PDPK1AURKBFLT3

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