SCHEMBL7738864

SCHEMBL7738864

Cc1c(NC(N)=S)ccc(-n2cccn2)c1CNC(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.35
LMNA P02545 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NAMPT P43490 2/20 0.35
BRD4 O60885 1/20 0.34
TSHR P16473 2/20 0.34
PCSK9 Q8NBP7 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
MAPKAPK2 P49137 1/20 0.33
CCKBR P32239 1/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
ATM Q13315 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL7738876 0.87 ALDH1A1 (0.41) LMNAKDM4ENAMPTMAPK1MEN1
SCHEMBL7734198 0.84 TSHR (0.34) SYKLMNAKDM4ENAMPTBRD4
SCHEMBL7738995 0.84 JAK2 (0.35) SYKLMNAKDM4ENAMPTBRD4
SCHEMBL7740422 0.80 SYK (0.40) SYKLMNANAMPTBRD4MAPKAPK2
SCHEMBL27493987 0.78 ALDH1A1 (0.33) SYKLMNAMEN1ALDH1A1MAPT
SCHEMBL7734201 0.78 SYK (0.33) SYKBRD4PCSK9CA12CA1
SCHEMBL6676282 0.75 KCNA5 (0.41) LMNANAMPTTSHRMAPKAPK2POLB
SCHEMBL23118891 0.75 KLKB1 (0.40) CA12CA1CA2CA9MEN1
SCHEMBL29792605 0.75 KLKB1 (0.40) CA12CA1CA2CA9MEN1
SCHEMBL7740426 0.73 PDK1 (0.40) SYKNAMPTBRD4PCSK9CA12

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