SCHEMBL19787937

SCHEMBL19787937

CCc1ccnc(NCCC#CCCNC(=O)c2cc(Cl)cn(Cc3cccc(Cl)c3)c2=O)n1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 11/20 0.67
▸ FSCN1 Q16658 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ KMT2A Q03164 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ ADRA1D P25100 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ PDE10A Q9Y233 1/20 0.37
▸ RXFP1 Q9HBX9 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
SCHEMBL13307444 0.88 PDPK1 (0.85) PDPK1FSCN1MAPTTP53PDE10A
SCHEMBL19788469 0.83 PDPK1 (0.54) PDPK1FSCN1MAPTTP53KMT2A
SCHEMBL13307445 0.82 PDPK1 (0.83) PDPK1ADRA1D
SCHEMBL13333000 0.81 PDPK1 (0.79) PDPK1FSCN1MAPTTP53PDE10A
SCHEMBL13307442 0.80 PDPK1 (1.00) PDPK1MAPTLMNA
SCHEMBL13306406 0.79 PDPK1 (1.00) PDPK1MAPTTP53KMT2AKDM4E
SCHEMBL13307448 0.76 PDPK1 (0.94) PDPK1MAPTTP53KMT2AKDM4E
SCHEMBL19787940 0.74 PDPK1 (0.75) PDPK1FSCN1MAPTLMNAPDE10A
SCHEMBL13307439 0.74 PDPK1 (0.83) PDPK1FSCN1PDE10A
SCHEMBL13307437 0.72 PDPK1 (1.00) PDPK1

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