SCHEMBL7877802

SCHEMBL7877802

CNC(N)=NC(=O)c1cc2c(Cl)ccc(Oc3cncc(CN4CCCC4)c3)c2[nH]1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 7/20 0.35
WNT1 P04628 4/20 0.35
CLK2 P49760 2/20 0.35
CLK3 P49761 1/20 0.35
SLC6A4 P31645 2/20 0.35
PARP1 P09874 1/20 0.33
DHODH Q02127 1/20 0.33
CHEK1 O14757 1/20 0.33
ACHE P22303 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
HRH3 Q9Y5N1 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
SCHEMBL7881391 0.90 HRH3 (0.39) ACHEALDH1A1LMNAGAAHRH3
SCHEMBL7879922 0.89 HRH3 (0.40) ACHEALDH1A1LMNAGAAHRH3
SCHEMBL7873742 0.89 DYRK1A (0.35) DYRK1AWNT1CLK2CLK3SLC6A4
SCHEMBL7884755 0.89 KDM4E (0.40) ALDH1A1HRH3
SCHEMBL7882273 0.88 KDM4E (0.41) ALDH1A1HRH3
SCHEMBL7881933 0.88 PRMT5 (0.34) SLC6A4
SCHEMBL7882013 0.86 SLC6A4 (0.40) DYRK1AWNT1CLK2CLK3SLC6A4
SCHEMBL7882394 0.85 SLC6A4 (0.38) DYRK1ASLC6A4
SCHEMBL7880764 0.84 ACHE (0.34) SLC6A4CHEK1ACHEALDH1A1LMNA
SCHEMBL7884720 0.84 KDR (0.35) SLC6A4GAA

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