SCHEMBL19787940

SCHEMBL19787940

COc1ccnc(NCCC#CCCNC(=O)c2cc(F)cn(Cc3cccc(F)c3)c2=O)n1

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 12/20 0.75
▸ BRD4 O60885 3/20 0.42
▸ PDE10A Q9Y233 1/20 0.40
▸ FSCN1 Q16658 1/20 0.39
▸ GAA P10253 1/20 0.37
▸ ADORA2A P29274 1/20 0.36
▸ ADORA2B P29275 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35

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 0.86 PDPK1 (0.85) PDPK1BRD4PDE10AFSCN1MAPT
SCHEMBL19787938 0.85 PDPK1 (1.00) PDPK1BRD4PDE10AFSCN1GAA
SCHEMBL13307439 0.85 PDPK1 (0.83) PDPK1BRD4PDE10AFSCN1
SCHEMBL13307445 0.85 PDPK1 (0.83) PDPK1BRD4
SCHEMBL13333000 0.84 PDPK1 (0.79) PDPK1BRD4PDE10AFSCN1MAPT
SCHEMBL13307447 0.83 PDPK1 (1.00) PDPK1MAPT
SCHEMBL13307442 0.83 PDPK1 (1.00) PDPK1BRD4GAALMNAMAPT
SCHEMBL13307450 0.81 PDPK1 (0.83) PDPK1
SCHEMBL13306406 0.81 PDPK1 (1.00) PDPK1MAPT
SCHEMBL13307440 0.79 PDPK1 (0.83) PDPK1BRD4MAPT

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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