SCHEMBL19788469

SCHEMBL19788469

CCC#CCCNC(=O)c1cc(Cl)cn(Cc2cccc(Cl)c2)c1=O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 5/20 0.54
▸ ADRA1D P25100 1/20 0.47
▸ MAPT P10636 3/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ KMT2A Q03164 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ BRD4 O60885 5/20 0.45
▸ TP53 P04637 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ FSCN1 Q16658 1/20 0.43
▸ PDE10A Q9Y233 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL19787937 0.83 PDPK1 (0.67) PDPK1ADRA1DMAPTALDH1A1LMNA
SCHEMBL13307444 0.81 PDPK1 (0.85) PDPK1MAPTBRD4TP53POLB
SCHEMBL14460019 0.77 BRD4 (0.69) ADRA1DMAPTALDH1A1LMNAHPGD
SCHEMBL13306405 0.76 PDPK1 (0.64) PDPK1MAPTALDH1A1KMT2AMEN1
SCHEMBL8114228 0.75 ADRA1D (0.61) ADRA1DMAPTALDH1A1LMNAHPGD
SCHEMBL13307445 0.74 PDPK1 (0.83) PDPK1ADRA1DBRD4
SCHEMBL13333000 0.73 PDPK1 (0.79) PDPK1MAPTBRD4TP53POLB
SCHEMBL8122767 0.72 KCNH2 (0.55) —
SCHEMBL15871894 0.72 PDPK1 (0.67) PDPK1MAPTALDH1A1KMT2AMEN1
SCHEMBL18617142 0.71 BRD4 (0.60) MAPTALDH1A1LMNAHPGDHTT

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
US-9873693-B2 Methods of treatment using pyridinonyl PDK1 inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2018-01-23 — — US disclosed
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