SCHEMBL7734201

SCHEMBL7734201

CCSC(N)=Nc1ccc(-n2cccn2)c(CNC(=O)OC(C)(C)C)c1C

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.33
NOS3 P29474 11/20 0.33
NOS1 P29475 11/20 0.33
NOS2 P35228 11/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
ATM Q13315 1/20 0.33
BRD4 O60885 1/20 0.32
AKT1 P31749 1/20 0.32
PCSK9 Q8NBP7 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
CCKBR P32239 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31

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
SCHEMBL7740427 0.82 NOS1 (0.38) SYKNOS3NOS1NOS2
SCHEMBL7734198 0.81 TSHR (0.34) SYKPOLBMAPK1ATMBRD4
SCHEMBL7738898 0.80 NOS3 (0.40) NOS3NOS1NOS2
Hydrochloric Acid SCHEMBL7738927 0.79 NOS3 (0.41) NOS3NOS1NOS2
SCHEMBL7738864 0.78 SYK (0.35) SYKPOLBMAPK1ATMBRD4
SCHEMBL7738995 0.75 JAK2 (0.35) SYKPOLBMAPK1ATMBRD4
SCHEMBL7740426 0.72 PDK1 (0.40) SYKBRD4PCSK9CA12CA1
SCHEMBL23118891 0.71 KLKB1 (0.40) CA12CA1CA2CA9
SCHEMBL29792605 0.71 KLKB1 (0.40) CA12CA1CA2CA9
SCHEMBL7740424 0.70 MEN1 (0.36) SYKMAPK1BRD4CCKBR

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