SCHEMBL7877896

SCHEMBL7877896

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.35
KDR P35968 3/20 0.35
BRAF P15056 2/20 0.35
MAPK14 Q16539 2/20 0.35
TNNI3K Q59H18 2/20 0.35
FAAH O00519 1/20 0.34
SLC6A4 P31645 1/20 0.34
TBK1 Q9UHD2 3/20 0.34
CDK8 P49336 3/20 0.34
CDK2 P24941 2/20 0.34
CDK1 P06493 1/20 0.34
CHEK1 O14757 1/20 0.34
ACHE P22303 1/20 0.34
MKNK2 Q9HBH9 3/20 0.33
MKNK1 Q9BUB5 2/20 0.33
CCNC P24863 1/20 0.33
STK25 O00506 1/20 0.33
CIT O14578 1/20 0.33
MAP2K7 O14733 1/20 0.33
IKBKB O14920 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
SCHEMBL7880060 0.89 CHEK1 (0.36) KDRSLC6A4TBK1CHEK1ACHE
SCHEMBL7881044 0.87 SCN9A (0.38) KDRCHEK1ACHEMKNK2MKNK1
SCHEMBL7882092 0.87 KDR (0.38) KDRBRAFMAPK14SLC6A4MKNK2
SCHEMBL7879812 0.87 FAAH (0.40) FAAHROCK2SCN9A
SCHEMBL7882171 0.86 HRH3 (0.38) KDRCHEK1ACHESCN9A
SCHEMBL7878049 0.86 FAAH (0.40) FAAHSCN9A
SCHEMBL7881238 0.86 KDR (0.33) KDRBRAFCHUKRAF1INSR
SCHEMBL7882024 0.86 SLC6A4 (0.39) KDRSLC6A4CHEK1ACHEFLT3
SCHEMBL7881386 0.85 TLR7 (0.36) TLR7KDRBRAFMAPK14TNNI3K
SCHEMBL7873654 0.84 RHEB (0.35) KDRBRAFRAF1MAPK8MAPK10

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