SCHEMBL7743448

SCHEMBL7743448

Cc1c(NC2NCCN2)cc(C#N)c2cccnc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 3/20 0.40
LRRK2 Q5S007 1/20 0.38
NPC1 O15118 1/20 0.36
HSP90AA1 P07900 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ELANE P08246 5/20 0.33
CLK1 P49759 1/20 0.33
CLK2 P49760 1/20 0.33
CLK3 P49761 1/20 0.33
CDK5 Q00535 1/20 0.33
DYRK1A Q13627 1/20 0.33
CDK5R1 Q15078 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
GLO1 Q04760 1/20 0.32
CHEK1 O14757 1/20 0.32
ACVR1 Q04771 1/20 0.32
CDC7 O00311 1/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 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
SCHEMBL7742100 0.81 L3MBTL1 (0.38) SLC40A1NPC1HSP90AA1L3MBTL1GLO1
SCHEMBL8117244 0.79 SLC40A1 (0.44) SLC40A1NPC1HSP90AA1L3MBTL1DYRK1A
Hydrochloric Acid SCHEMBL8111469 0.78 SLC40A1 (0.43) SLC40A1NPC1HSP90AA1L3MBTL1DYRK1A
SCHEMBL7743446 0.77 ADRA2A (0.52) ALDH1A1HPGD
SCHEMBL8103382 0.76 ROCK2 (0.33) LRRK2NPC1ALDH1A1
SCHEMBL6581921 0.76 IP6K1 (0.30)
SCHEMBL7210061 0.75
SCHEMBL6579185 0.74 IKBKB (0.32)
SCHEMBL7743450 0.74 LRRK2 (0.36) SLC40A1LRRK2NPC1HSP90AA1L3MBTL1
SCHEMBL6579373 0.73

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6423724-B1 PREVENTION, THERAPY DISEASE THE PROCTER & GAMBLE COMPANY 2002-07-23 US disclosed
EP-0734261-B1 7-(2-IMIDAZOLINYLAMINO)QUINOLINE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS PROCTER & GAMBLE (US) 2001-06-27 EP disclosed
US-5916900-A TREATMENT OF NASAL CONGESTION, ASTHMA, COUGH, CARDIOVASCULAR DISORDERS, OCULAR DISORDERS, GASTROINTESTINAL DISORDERS, MIGRAINES, SUSBSTANCE ABUSE THE PROCTER & GAMBLE COMPANY (US) 1999-06-29 US disclosed
US-5716966-A RESPIRATORY SYSTEM DISORDERS; VISION DEFECTS; GASTROINTESTINAL DISORDERS THE PROCTER & GAMBLE COMPANY (US) 1998-02-10 US disclosed
US-5576437-A 7-(2-imidazolnylamino) quinoline compounds useful as alpha-2 adrenoceptor agonists THE PROCTER & GAMBLE COMPANY (US) 1996-11-19 US disclosed
EP-0734261-A1 7-(2-IMIDAZOLINYLAMINO)QUINOLINE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1996-10-02 EP disclosed
WO-1995020386-A1 7-(2-IMIDAZOLINYLAMINO)QUINOLINE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1995-08-03 WO disclosed