SCHEMBL7740478

SCHEMBL7740478

CC(C)(C)OC(=O)NCc1cc(NC#N)ccc1-n1cccn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.37
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37
BRD4 O60885 1/20 0.37
HDAC6 Q9UBN7 2/20 0.36
HDAC10 Q969S8 1/20 0.36
NAMPT P43490 2/20 0.36
KDM4A O75164 1/20 0.35
JAK2 O60674 2/20 0.35
JAK1 P23458 2/20 0.35
KCNA5 P22460 1/20 0.35
MEN1 O00255 3/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 3/20 0.35
KMT2A Q03164 3/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL7738859 0.83 HDAC6 (0.36) BRD4HDAC6HDAC10NAMPTJAK2
SCHEMBL7740422 0.83 SYK (0.40) SYKPDK1PDK2PDK3PDK4
SCHEMBL7740426 0.83 PDK1 (0.40) SYKPDK1PDK2PDK3PDK4
SCHEMBL7740424 0.81 MEN1 (0.36) SYKPDK1PDK2PDK3PDK4
SCHEMBL7738995 0.80 JAK2 (0.35) SYKBRD4NAMPTKDM4AJAK2
SCHEMBL7740427 0.74 NOS1 (0.38) SYK
SCHEMBL4404243 0.70 LMNA (0.54) BRD4NAMPTLMNACCKBR
SCHEMBL22044738 0.70 NAMPT (0.44) SYKNAMPTMEN1ALDH1A1MAPT
SCHEMBL23118891 0.70 KLKB1 (0.40) MEN1ALDH1A1MAPTKMT2A
SCHEMBL29792605 0.70 KLKB1 (0.40) MEN1ALDH1A1MAPTKMT2A

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-6414005-B1 BRAIN DISORDERS; ALZHEIMER'S DISEASE; PARKINSON'S DISEASE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-07-02 US disclosed
EP-1043312-A1 HETEROCYCLIC COMPOUNDS HAVING NOS INHIBITORY ACTIVITIES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2000-10-11 EP disclosed