SCHEMBL7877879

SCHEMBL7877879

CN(C(=N)N)C(=O)c1cc2c(Cl)cc(Oc3cncc(CN4CCCC4)c3)cc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 8/20 0.36
WNT1 P04628 5/20 0.36
CLK2 P49760 3/20 0.36
CLK3 P49761 2/20 0.36
PARP1 P09874 2/20 0.36
DHODH Q02127 1/20 0.36
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
CHEK1 O14757 1/20 0.32
ACHE P22303 1/20 0.32
SLC6A4 P31645 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
BTK Q06187 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
SCHEMBL7879668 0.89 HRH3 (0.39) PARP1DRD2DRD3HRH3
SCHEMBL7877811 0.88 HRH3 (0.41) HRH3
SCHEMBL7881197 0.88 DYRK1A (0.34) DYRK1AWNT1CLK2CLK3PARP1
SCHEMBL7884245 0.88 FAAH (0.40) PARP1BTK
SCHEMBL7881123 0.87 RHEB (0.33)
SCHEMBL7881368 0.87 KDM4E (0.39) PARP1BTK
SCHEMBL7881243 0.86 HTR2A (0.33) SLC6A4
SCHEMBL7881119 0.85 ROCK2 (0.39) DYRK1AWNT1CLK2CLK3PARP1
SCHEMBL7877795 0.85 DYRK1A (0.35) DYRK1AWNT1CLK2CLK3PARP1
SCHEMBL7880741 0.84 DYRK1A (0.33) DYRK1AWNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6248772-B1 HYPOTENSIVE AGENTS; ANTIARRHYTHMIA AGENTS; ANTIDIABETIC AGENTS; ANTIPROLIFERATIVE AGENTS SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2001-06-19 US disclosed
US-6169107-B1 USEFUL FOR THE TREATMENT AND PREVENTION OF DISEASES CAUSED BY INCREASED SODIUM/PROTON (NA.SUP.+ /H.SUP.+) EXCHANGER ACTIVITY, FOR EXAMPLE, HYPERTENSION, ARRHYTHMIA, ANGINA PECTORIS, CARDIAC HYPERTROPHY, DIABETES MELLITUS SUMITOMO PHARMACEUTICAL CO., LTD. (JP) 2001-01-02 US disclosed
EP-0708091-A2 Indoloylguanidine derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1996-04-24 EP disclosed