SCHEMBL3721672

SCHEMBL3721672

COC(=O)c1ccc2c(c1)NC(=O)/C2=C\CCCNc1ccc(N(C)C(=O)CN(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.37
RAF1 P04049 1/20 0.37
PDPK1 O15530 1/20 0.36
AAK1 Q2M2I8 1/20 0.35
AURKB Q96GD4 3/20 0.35
FLT3 P36888 2/20 0.35
SENP1 Q9P0U3 1/20 0.35
PDGFRA P16234 2/20 0.34
KMT2A Q03164 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
CASP1 P29466 1/20 0.34
CSF1R P07333 3/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
CHEK1 O14757 2/20 0.33
LMNA P02545 2/20 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
SCHEMBL3721673 1.00 AURKA (0.37) AURKARAF1PDPK1AAK1AURKB
SCHEMBL16752525 0.95 AURKA (0.38) AURKARAF1PDPK1AAK1AURKB
SCHEMBL16752524 0.95 AURKA (0.38) AURKARAF1PDPK1AAK1AURKB
SCHEMBL479637 0.93 RAB9A (0.38) AURKBFLT3SENP1PDGFRAKMT2A
SCHEMBL479748 0.90 AURKA (0.41) AURKARAF1PDPK1AAK1AURKB
SCHEMBL479289 0.88 RAB9A (0.39) AURKBFLT3SENP1PDGFRAKMT2A
SCHEMBL479844 0.86 PSEN1 (0.39) AURKARAF1PDPK1AURKBFLT3
SCHEMBL479774 0.84 CHEK1 (0.36) AURKARAF1PDPK1AURKBFLT3
SCHEMBL479417 0.84 AURKA (0.41) AURKARAF1PDPK1AAK1AURKB
SCHEMBL2563861 0.84 AURKA (0.41) AURKARAF1PDPK1AAK1AURKB

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-2878297-A1 Medicaments for the treatment or prevention of fibrotic diseases Boehringer Ingelheim International GmbH (DE) 2015-06-03 EP disclosed
WO-2010108665-A1 PROMOTION OF NEURONAL INTEGRATION IN NEURAL STEM CELL GRAFTS LIFE & BRAIN GMBH (DE) 2010-09-30 WO disclosed