SCHEMBL7877795

SCHEMBL7877795

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

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 7/20 0.35
WNT1 P04628 5/20 0.35
CLK2 P49760 3/20 0.35
CLK3 P49761 2/20 0.35
PARP1 P09874 1/20 0.34
DHODH Q02127 1/20 0.34
SLC6A4 P31645 1/20 0.34
HRH3 Q9Y5N1 2/20 0.33
CDK4 P11802 1/20 0.32
CCND1 P24385 1/20 0.32
CDK2 P24941 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
SCHEMBL7881384 0.90 HRH3 (0.39) SLC6A4HRH3
SCHEMBL7873734 0.90 DYRK1A (0.34) DYRK1AWNT1CLK2CLK3PARP1
SCHEMBL7879919 0.89 HRH3 (0.41) HRH3
SCHEMBL7884748 0.89 CCR8 (0.40)
SCHEMBL7882269 0.88 KDM4E (0.40)
SCHEMBL7881924 0.87 HTR2A (0.33) SLC6A4
SCHEMBL7882381 0.87 SLC6A4 (0.40) SLC6A4
SCHEMBL7882004 0.86 PARP1 (0.39) DYRK1AWNT1CLK2CLK3PARP1
SCHEMBL7877879 0.85 DYRK1A (0.36) DYRK1AWNT1CLK2CLK3PARP1
SCHEMBL7881402 0.84 HTR2A (0.35) DYRK1AWNT1PARP1SLC6A4

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