SCHEMBL7738995

SCHEMBL7738995

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
BRD4 O60885 1/20 0.35
PCSK9 Q8NBP7 1/20 0.34
NSD2 O96028 1/20 0.34
NAMPT P43490 2/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
ATM Q13315 1/20 0.33
KDM4A O75164 1/20 0.33
AKT1 P31749 1/20 0.33
CTSS P25774 3/20 0.32
CTSK P43235 2/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32

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
SCHEMBL7738864 0.84 SYK (0.35) BRD4PCSK9NAMPTKDM4ELMNA
SCHEMBL7734198 0.81 TSHR (0.34) BRD4PCSK9NAMPTKDM4ELMNA
SCHEMBL7740478 0.80 SYK (0.37) JAK2JAK1BRD4PCSK9NSD2
SCHEMBL7738876 0.79 ALDH1A1 (0.41) NAMPTKDM4ELMNAMAPK1
SCHEMBL23118891 0.75 KLKB1 (0.40) CA12CA1CA2CA9
SCHEMBL29792605 0.75 KLKB1 (0.40) CA12CA1CA2CA9
SCHEMBL7734201 0.75 SYK (0.33) BRD4PCSK9POLBMAPK1ATM
SCHEMBL7740426 0.72 PDK1 (0.40) BRD4PCSK9NAMPTKDM4ACA12
SCHEMBL4404243 0.68 LMNA (0.54) BRD4NAMPTKDM4ELMNAMAPK1
SCHEMBL7740422 0.67 SYK (0.40) BRD4NAMPTLMNAKDM4ASYK

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