SCHEMBL7879882

SCHEMBL7879882

CCN(CC)Cc1ccnc(Oc2ccc(Cl)c3cc(C(=O)N(C)C(=N)N)[nH]c23)c1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.33
CLK1 P49759 1/20 0.31
CLK2 P49760 1/20 0.31
CLK3 P49761 1/20 0.31
GSK3B P49841 1/20 0.31
DYRK1A Q13627 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
DYRK1B Q9Y463 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ACHE P22303 1/20 0.31
PARP1 P09874 1/20 0.30
PARP2 Q9UGN5 1/20 0.30
HTR1A P08908 1/20 0.30
HTR2C P28335 1/20 0.30
HTR7 P34969 1/20 0.30
HTR2B P41595 1/20 0.30
HTR5A P47898 1/20 0.30
HTR6 P50406 1/20 0.30

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
SCHEMBL7873356 0.92 HTR2A (0.34) SYK
SCHEMBL7884606 0.90 LOXL2 (0.39)
SCHEMBL7881823 0.89 SCN9A (0.30) CLK1CLK2CLK3GSK3BDYRK1A
SCHEMBL7881272 0.86 NUDT1 (0.32) SYKKDM4E
SCHEMBL7881920 0.85 TP53 (0.39) SYKKDM4E
SCHEMBL7877753 0.85 HTR2A (0.39) ACHEPARP1PARP2HTR1AHTR2C
SCHEMBL7873652 0.85 HTR2A (0.33) KDM4E
SCHEMBL7877609 0.84 HTR2A (0.36) ACHEHTR1AHTR2CHTR7HTR2B
SCHEMBL7880752 0.84 ACHE (0.33) SYKACHE
SCHEMBL7882278 0.84 LOXL2 (0.32) PARP1PARP2

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