SCHEMBL7880752

SCHEMBL7880752

CN(C(=N)N)C(=O)c1cc2c(Cl)ccc(Oc3cc(CN4CCCC4)ccn3)c2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.33
ALK Q9UM73 1/20 0.33
CHEK1 O14757 1/20 0.33
GRM2 Q14416 2/20 0.33
AURKA O14965 1/20 0.33
AURKB Q96GD4 1/20 0.33
HRH3 Q9Y5N1 2/20 0.33
TLR7 Q9NYK1 2/20 0.33
SYK P43405 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL7881379 0.90 TLR7 (0.36) ACHECHEK1TLR7
SCHEMBL7884606 0.87 LOXL2 (0.39)
SCHEMBL7873356 0.87 HTR2A (0.34) SYK
SCHEMBL7881384 0.87 HRH3 (0.39) HRH3TLR7ALDH1A1LMNA
SCHEMBL7877486 0.86 PARP1 (0.35) ALKTLR7LMNA
SCHEMBL7879919 0.86 HRH3 (0.41) HRH3ALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL7884712 0.85 SLC6A4 (0.34) HRH3
SCHEMBL7884748 0.85 CCR8 (0.40) ALDH1A1
SCHEMBL7880055 0.85 CHEK1 (0.34) ACHECHEK1GRM2AURKAAURKB
SCHEMBL7882269 0.85 KDM4E (0.40) ALDH1A1

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