SCHEMBL7873734

SCHEMBL7873734

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

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 7/20 0.34
WNT1 P04628 7/20 0.34
SCN9A Q15858 4/20 0.34
CLK2 P49760 1/20 0.34
CLK3 P49761 1/20 0.34
SLC6A4 P31645 1/20 0.33
PARP1 P09874 1/20 0.33
DHODH Q02127 1/20 0.33
MGLL Q99685 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
SCHEMBL7877795 0.90 DYRK1A (0.35) DYRK1AWNT1CLK2CLK3SLC6A4
SCHEMBL7882232 0.90 SCN9A (0.38) SCN9A
SCHEMBL7880758 0.89 SCN9A (0.38) SCN9AMGLL
SCHEMBL7879862 0.89 HRH3 (0.38) SCN9A
SCHEMBL7873699 0.88 SCN9A (0.38) SCN9AMGLL
SCHEMBL7884304 0.88 SUCNR1 (0.32)
SCHEMBL7873809 0.87 SLC6A4 (0.35) SCN9ASLC6A4
SCHEMBL7881197 0.85 DYRK1A (0.34) DYRK1AWNT1SCN9ACLK2CLK3
SCHEMBL7879496 0.85 SCN9A (0.35) DYRK1AWNT1SCN9ASLC6A4
SCHEMBL7881379 0.85 TLR7 (0.36) SCN9A

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