SCHEMBL7877893

SCHEMBL7877893

CN(C(=N)N)C(=O)c1cc2c(C(F)(F)F)cc(Oc3cc(CN4CCCC4)ccn3)cc2[nH]1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.34
FAAH O00519 1/20 0.34
SCN9A Q15858 2/20 0.34
BRAF P15056 1/20 0.33
KDR P35968 1/20 0.33
MAPK14 Q16539 1/20 0.33
TNNI3K Q59H18 1/20 0.33
TBK1 Q9UHD2 7/20 0.33
SLC6A4 P31645 1/20 0.33
CDK1 P06493 1/20 0.32
CDK2 P24941 1/20 0.32
CDK8 P49336 1/20 0.32
CHEK1 O14757 1/20 0.32
ACHE P22303 1/20 0.32
KCNH2 Q12809 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
CCNT1 O60563 1/20 0.31
FLT3 P36888 1/20 0.31
CDK9 P50750 1/20 0.31
IKBKE Q14164 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
SCHEMBL7880055 0.88 CHEK1 (0.34) SLC6A4CHEK1ACHEPARP1
SCHEMBL7884557 0.88 LOXL2 (0.40)
SCHEMBL7881230 0.87 RHEB (0.32) KDR
SCHEMBL7881038 0.87 SCN9A (0.40) SCN9AKDRACHE
SCHEMBL7882090 0.87 SCN9A (0.37) SCN9ABRAFKDRMAPK14SLC6A4
SCHEMBL7879808 0.87 SCN9A (0.40) FAAHSCN9A
SCHEMBL7882167 0.87 SCN9A (0.39) SCN9AKDR
SCHEMBL7878045 0.86 SCN9A (0.39) FAAHSCN9A
SCHEMBL7881379 0.85 TLR7 (0.36) TLR7FAAHSCN9ABRAFKDR
SCHEMBL7879968 0.85 RHEB (0.31)

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