SCHEMBL16752525

SCHEMBL16752525

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.38
RAF1 P04049 1/20 0.38
PDPK1 O15530 1/20 0.37
AAK1 Q2M2I8 1/20 0.36
FLT3 P36888 3/20 0.36
AURKB Q96GD4 3/20 0.36
SENP1 Q9P0U3 1/20 0.35
KMT2A Q03164 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
CSF1R P07333 3/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
POLB P06746 1/20 0.34
CHEK1 O14757 2/20 0.34
PDGFRB P09619 2/20 0.34
PDGFRA P16234 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
SCHEMBL16752524 1.00 AURKA (0.38) AURKARAF1PDPK1AAK1FLT3
SCHEMBL3721672 0.95 AURKA (0.37) AURKARAF1PDPK1AAK1FLT3
SCHEMBL3721673 0.95 AURKA (0.37) AURKARAF1PDPK1AAK1FLT3
SCHEMBL479289 0.93 RAB9A (0.39) FLT3AURKBSENP1KMT2ACSF1R
SCHEMBL479748 0.91 AURKA (0.41) AURKARAF1PDPK1AAK1FLT3
SCHEMBL479637 0.88 RAB9A (0.38) FLT3AURKBSENP1KMT2ACSF1R
SCHEMBL479417 0.85 AURKA (0.41) AURKARAF1PDPK1AAK1FLT3
SCHEMBL479415 0.85 AURKA (0.41) AURKARAF1PDPK1AAK1FLT3
SCHEMBL2563861 0.85 AURKA (0.41) AURKARAF1PDPK1AAK1FLT3
SCHEMBL479768 0.85 PSEN1 (0.40) AURKARAF1PDPK1FLT3AURKB

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
EP-2878297-A1 Medicaments for the treatment or prevention of fibrotic diseases Boehringer Ingelheim International GmbH (DE) 2015-06-03 EP disclosed